N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide

C19H22ClN3O — CID 19509390

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CC2CCC1C2
InChIInChI=1S/C19H22ClN3O/c1-11(16-9-12-2-3-14(16)8-12)21-19(24)18-10-17(22-23-18)13-4-6-15(20)7-5-13/h4-7,10-12,14,16H,2-3,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeySBPHLWUYXXWOFZ-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509390) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509390
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CC2CCC1C2
InChIInChI=1S/C19H22ClN3O/c1-11(16-9-12-2-3-14(16)8-12)21-19(24)18-10-17(22-23-18)13-4-6-15(20)7-5-13/h4-7,10-12,14,16H,2-3,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeySBPHLWUYXXWOFZ-UHFFFAOYSA-N
XLogP4.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514501
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524412
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376605
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376608
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloropyridine-2-carboxamide
CID 43087425
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98670180
(2S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 124823605
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-chloro-1H-indole-2-carboxamide
CID 108804038
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 98271723
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81225387

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 19509390) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is CC(NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SBPHLWUYXXWOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-11(16-9-12-2-3-14(16)8-12)21-19(24)18-10-17(22-23-18)13-4-6-15(20)7-5-13/h4-7,10-12,14,16H,2-3,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).