N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride

C16H20ClFN4O — CID 119600626

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H19FN4O.ClH/c17-12-6-4-10(5-7-12)14-8-15(21-20-14)16(22)19-13-3-1-2-11(13)9-18;/h4-8,11,13H,1-3,9,18H2,(H,19,22)(H,20,21);1H
InChIKeyPTEOKJFNFFXZOJ-UHFFFAOYSA-N
MW338.81 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119600626) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119600626
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H19FN4O.ClH/c17-12-6-4-10(5-7-12)14-8-15(21-20-14)16(22)19-13-3-1-2-11(13)9-18;/h4-8,11,13H,1-3,9,18H2,(H,19,22)(H,20,21);1H
InChIKeyPTEOKJFNFFXZOJ-UHFFFAOYSA-N
XLogP2.49
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119609271
N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119600652
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 51948560
N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119600794
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119601035
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87045985
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 167856111
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119603433
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 119600626) is N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is PTEOKJFNFFXZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O.ClH/c17-12-6-4-10(5-7-12)14-8-15(21-20-14)16(22)19-13-3-1-2-11(13)9-18;/h4-8,11,13H,1-3,9,18H2,(H,19,22)(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 338.81 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119600626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).