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

C19H22FN3O — CID 19514501

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CC2CCC1C2
InChIInChI=1S/C19H22FN3O/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)
InChIKeySDCCLFKNWQRZJC-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.77
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514501) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19514501
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CC2CCC1C2
InChIInChI=1S/C19H22FN3O/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)
InChIKeySDCCLFKNWQRZJC-UHFFFAOYSA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.77
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-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509390
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524412
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-4-fluorobenzamide
CID 24708984
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 98445975
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940037
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119369536
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 113240764
[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 98764648
[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 98764646
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 98297172

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 19514501) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is CC(NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SDCCLFKNWQRZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/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-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.77, 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-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).