N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C22H29N3O — CID 126417205

IUPACN-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C
InChIInChI=1S/C22H29N3O/c1-14-15(2)24-25(16(14)3)13-12-20(26)23-22-19-11-7-10-18(19)21(22)17-8-5-4-6-9-17/h4-6,8-9,18-19,21-22H,7,10-13H2,1-3H3,(H,23,26)/t18-,19-,21+,22-/m1/s1
InChIKeyUNYRHBODQVLFGT-KRXUUXHPSA-N
MW351.49 g/mol
LogP3.90
Rot. Bonds5

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

N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 126417205) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID126417205
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C
InChIInChI=1S/C22H29N3O/c1-14-15(2)24-25(16(14)3)13-12-20(26)23-22-19-11-7-10-18(19)21(22)17-8-5-4-6-9-17/h4-6,8-9,18-19,21-22H,7,10-13H2,1-3H3,(H,23,26)/t18-,19-,21+,22-/m1/s1
InChIKeyUNYRHBODQVLFGT-KRXUUXHPSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110216223
N-[(1S,6R,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596472
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
CID 46956350
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 126417156
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
CID 46955875
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 133267455
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 138382007
4-methyl-N-[2-oxo-2-[[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 126417165
N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 133123132
N-[(3R)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 96571195
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(7-phenyl-6-bicyclo[3.2.0]heptanyl)propanamide
CID 110087847
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77086601

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 126417205) is N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C.
What is the InChIKey of N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is UNYRHBODQVLFGT-KRXUUXHPSA-N. The full InChI is InChI=1S/C22H29N3O/c1-14-15(2)24-25(16(14)3)13-12-20(26)23-22-19-11-7-10-18(19)21(22)17-8-5-4-6-9-17/h4-6,8-9,18-19,21-22H,7,10-13H2,1-3H3,(H,23,26)/t18-,19-,21+,22-/m1/s1.
What are the key properties of N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 126417205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).