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

C17H21FN4O — CID 119609271

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNCC1CCCCC1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H21FN4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(23)20-14-4-2-1-3-12(14)10-19/h5-9,12,14H,1-4,10,19H2,(H,20,23)(H,21,22)
InChIKeyRDVLUDIRYJXVMJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.46
Rot. Bonds4

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

N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 119609271) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID119609271
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNCC1CCCCC1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H21FN4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(23)20-14-4-2-1-3-12(14)10-19/h5-9,12,14H,1-4,10,19H2,(H,20,23)(H,21,22)
InChIKeyRDVLUDIRYJXVMJ-UHFFFAOYSA-N
XLogP2.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119600626
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-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119600652
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
N-[2-(aminomethyl)cyclohexyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 119609704

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 119609271) is N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is NCC1CCCCC1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RDVLUDIRYJXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(23)20-14-4-2-1-3-12(14)10-19/h5-9,12,14H,1-4,10,19H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119609271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).