1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide

C16H19FN4O — CID 119859368

IUPAC1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(-n3cccn3)c(F)c2)CCCCC1
InChIInChI=1S/C16H19FN4O/c17-13-11-12(5-6-14(13)21-10-4-9-19-21)20-15(22)16(18)7-2-1-3-8-16/h4-6,9-11H,1-3,7-8,18H2,(H,20,22)
InChIKeyDOTNMLTUQCTIFQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.61
Rot. Bonds3

About 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide

1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 119859368) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
PubChem CID119859368
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(-n3cccn3)c(F)c2)CCCCC1
InChIInChI=1S/C16H19FN4O/c17-13-11-12(5-6-14(13)21-10-4-9-19-21)20-15(22)16(18)7-2-1-3-8-16/h4-6,9-11H,1-3,7-8,18H2,(H,20,22)
InChIKeyDOTNMLTUQCTIFQ-UHFFFAOYSA-N
XLogP2.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119293738
1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119842780
1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
CID 65436937
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119280057
3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 119859342
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055
(3aS,6aR)-2-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122078041
N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55819755
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide (CID 119859368) is 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(-n3cccn3)c(F)c2)CCCCC1.
What is the InChIKey of 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is DOTNMLTUQCTIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-13-11-12(5-6-14(13)21-10-4-9-19-21)20-15(22)16(18)7-2-1-3-8-16/h4-6,9-11H,1-3,7-8,18H2,(H,20,22).
What are the key properties of 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119859368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).