2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide

C19H29N3O2 — CID 127954781

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C19H29N3O2/c1-11-18(12(2)22(3)21-11)19-16(6-7-24-19)20-17(23)10-15-9-13-4-5-14(15)8-13/h13-16,19H,4-10H2,1-3H3,(H,20,23)/t13?,14?,15?,16-,19-/m0/s1
InChIKeyYHCDMJNZUKDDEP-XKJJLBRQSA-N
MW331.46 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide (PubChem CID 127954781) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide
PubChem CID127954781
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C19H29N3O2/c1-11-18(12(2)22(3)21-11)19-16(6-7-24-19)20-17(23)10-15-9-13-4-5-14(15)8-13/h13-16,19H,4-10H2,1-3H3,(H,20,23)/t13?,14?,15?,16-,19-/m0/s1
InChIKeyYHCDMJNZUKDDEP-XKJJLBRQSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide (CID 127954781) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide?
The InChIKey is YHCDMJNZUKDDEP-XKJJLBRQSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-11-18(12(2)22(3)21-11)19-16(6-7-24-19)20-17(23)10-15-9-13-4-5-14(15)8-13/h13-16,19H,4-10H2,1-3H3,(H,20,23)/t13?,14?,15?,16-,19-/m0/s1.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 127954781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).