(4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one

C99H120N10O10 — CID 157422306

About (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one

(4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one (PubChem CID 157422306) has the molecular formula C99H120N10O10 and a molecular weight of 1610.11 g/mol. Its IUPAC name is (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one.

Molecular Properties

• Compound Name: (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one
• PubChem CID: 157422306
• Molecular Formula: C99H120N10O10
• Molecular Weight: 1610.11 g/mol
• Exact Mass: 1608.92
• IUPAC Name: (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one
• SMILES: CC1=NN(CC(=O)C2=CC=CC2)C(=O)[C@]1(C)C1CC2CCC1C2.CC1=NN(CC(=O)c2ccccc2)C(=O)C1(C)[C@@H]1CC2CCC1C2.CC1=NN(CC(=O)c2ccccc2)C(=O)C1(C)[C@H]1CC2CCC1C2.CC1=NN(CC(=O)c2ccccc2)C(=O)[C@@]1(C)C1CC2CCC1C2.CC1=NN(CC(=O)c2ccccc2)C(=O)[C@]1(C)C1CC2CCC1C2
• InChI: InChI=1S/4C20H24N2O2.C19H24N2O2/c4*1-13-20(2,17-11-14-8-9-16(17)10-14)19(24)22(21-13)12-18(23)15-6-4-3-5-7-15;1-12-19(2,16-10-13-7-8-15(16)9-13)18(23)21(20-12)11-17(22)14-5-3-4-6-14/h4*3-7,14,16-17H,8-12H2,1-2H3;3-5,13,15-16H,6-11H2,1-2H3/t2*14?,16?,17?,20-;2*14?,16?,17-,20?;13?,15?,16?,19-/m10100/s1
• InChIKey: BPOAXRLIBJBJRM-UXBFCYGMSA-N
• XLogP: 17.22
• TPSA: 248.70 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1610.11
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one?

The IUPAC name of (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one (CID 157422306) is (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one.

What is the SMILES notation for (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one?

The canonical SMILES for (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one is CC1=NN(CC(=O)C2=CC=CC2)C(=O)[C@]1(C)C1CC2CCC1C2.CC1=NN(CC(=O)c2ccccc2)C(=O)C1(C)[C@@H]1CC2CCC1C2.CC1=NN(CC(=O)c2ccccc2)C(=O)C1(C)[C@H]1CC2CCC1C2.CC1=NN(CC(=O)c2ccccc2)C(=O)[C@@]1(C)C1CC2CCC1C2.CC1=NN(CC(=O)c2ccccc2)C(=O)[C@]1(C)C1CC2CCC1C2.

What is the InChIKey of (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one?

The InChIKey is BPOAXRLIBJBJRM-UXBFCYGMSA-N. The full InChI is InChI=1S/4C20H24N2O2.C19H24N2O2/c4*1-13-20(2,17-11-14-8-9-16(17)10-14)19(24)22(21-13)12-18(23)15-6-4-3-5-7-15;1-12-19(2,16-10-13-7-8-15(16)9-13)18(23)21(20-12)11-17(22)14-5-3-4-6-14/h4*3-7,14,16-17H,8-12H2,1-2H3;3-5,13,15-16H,6-11H2,1-2H3/t2*14?,16?,17?,20-;2*14?,16?,17-,20?;13?,15?,16?,19-/m10100/s1.

What are the key properties of (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one?

(4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one has a molecular weight of 1610.11 g/mol, XLogP of 17.22, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;4-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one;(4R)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-phenacylpyrazol-3-one is sourced from PubChem (CID 157422306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).