N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide

C16H19FN4O2 — CID 167856111

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
SMILESNCC1CCCC1NC(=O)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H19FN4O2/c17-11-4-6-12(7-5-11)21-9-14(22)15(20-21)16(23)19-13-3-1-2-10(13)8-18/h4-7,9-10,13,22H,1-3,8,18H2,(H,19,23)
InChIKeyUWTZCTZCQHDXOX-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide (PubChem CID 167856111) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
PubChem CID167856111
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
SMILESNCC1CCCC1NC(=O)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H19FN4O2/c17-11-4-6-12(7-5-11)21-9-14(22)15(20-21)16(23)19-13-3-1-2-10(13)8-18/h4-7,9-10,13,22H,1-3,8,18H2,(H,19,23)
InChIKeyUWTZCTZCQHDXOX-UHFFFAOYSA-N
XLogP1.57
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxycyclohexyl)pyrazole-3-carboxamide
CID 110013646
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 110016360
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
CID 119602881
N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119604031
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577
1-(4-fluorophenyl)-4-hydroxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
CID 109416456
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119602714
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 119601120
N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119600626
N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610419
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 119600640

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide (CID 167856111) is N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide is NCC1CCCC1NC(=O)c1nn(-c2ccc(F)cc2)cc1O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide?
The InChIKey is UWTZCTZCQHDXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-11-4-6-12(7-5-11)21-9-14(22)15(20-21)16(23)19-13-3-1-2-10(13)8-18/h4-7,9-10,13,22H,1-3,8,18H2,(H,19,23).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 167856111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).