4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

C20H25N3O — CID 98641400

IUPAC4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2
InChIInChI=1S/C20H25N3O/c1-19(2)15-9-10-20(19,3)17(13-15)22-18(24)14-5-7-16(8-6-14)23-12-4-11-21-23/h4-8,11-12,15,17H,9-10,13H2,1-3H3,(H,22,24)/t15-,17-,20-/m0/s1
InChIKeyVIKSNPXNJHXPBK-KNBMTAEXSA-N
MW323.44 g/mol
LogP3.82
Rot. Bonds3

About 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 98641400) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID98641400
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2
InChIInChI=1S/C20H25N3O/c1-19(2)15-9-10-20(19,3)17(13-15)22-18(24)14-5-7-16(8-6-14)23-12-4-11-21-23/h4-8,11-12,15,17H,9-10,13H2,1-3H3,(H,22,24)/t15-,17-,20-/m0/s1
InChIKeyVIKSNPXNJHXPBK-KNBMTAEXSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
4-methoxy-1-phenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide
CID 55381308
4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335313
3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 100851579
5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide
CID 55026651
1-(4-methylphenyl)-6-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 75403188
N-[(1R,6S,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-4-pyrazol-1-ylbenzamide
CID 100899001
5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
CID 26918414
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide
CID 98401902
9,10,10-trioxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thioxanthene-3-carboxamide
CID 3965714
1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 49124609

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (CID 98641400) is 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2.
What is the InChIKey of 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is VIKSNPXNJHXPBK-KNBMTAEXSA-N. The full InChI is InChI=1S/C20H25N3O/c1-19(2)15-9-10-20(19,3)17(13-15)22-18(24)14-5-7-16(8-6-14)23-12-4-11-21-23/h4-8,11-12,15,17H,9-10,13H2,1-3H3,(H,22,24)/t15-,17-,20-/m0/s1.
What are the key properties of 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 98641400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).