4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide

C22H29N3O — CID 46956350

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)N[C@@H]2C3CCCC3[C@H]2c2ccccc2)n1
InChIInChI=1S/C22H29N3O/c1-15-14-16(2)25(24-15)13-7-12-20(26)23-22-19-11-6-10-18(19)21(22)17-8-4-3-5-9-17/h3-5,8-9,14,18-19,21-22H,6-7,10-13H2,1-2H3,(H,23,26)/t18?,19?,21-,22-/m1/s1
InChIKeyUUVJGRZWXTUFGE-SLMMIHQXSA-N
MW351.49 g/mol
LogP3.98
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide (PubChem CID 46956350) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
PubChem CID46956350
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)N[C@@H]2C3CCCC3[C@H]2c2ccccc2)n1
InChIInChI=1S/C22H29N3O/c1-15-14-16(2)25(24-15)13-7-12-20(26)23-22-19-11-6-10-18(19)21(22)17-8-4-3-5-9-17/h3-5,8-9,14,18-19,21-22H,6-7,10-13H2,1-2H3,(H,23,26)/t18?,19?,21-,22-/m1/s1
InChIKeyUUVJGRZWXTUFGE-SLMMIHQXSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide with MolForge

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Related Compounds

(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
CID 125037389
N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110216223
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 126417156
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 131935588
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide
CID 110107173
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
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3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
CID 46955875
(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70749566
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 92596564

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide (CID 46956350) is 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide is Cc1cc(C)n(CCCC(=O)N[C@@H]2C3CCCC3[C@H]2c2ccccc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide?
The InChIKey is UUVJGRZWXTUFGE-SLMMIHQXSA-N. The full InChI is InChI=1S/C22H29N3O/c1-15-14-16(2)25(24-15)13-7-12-20(26)23-22-19-11-6-10-18(19)21(22)17-8-4-3-5-9-17/h3-5,8-9,14,18-19,21-22H,6-7,10-13H2,1-2H3,(H,23,26)/t18?,19?,21-,22-/m1/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide has a molecular weight of 351.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide is sourced from PubChem (CID 46956350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).