1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide

C16H15FN6O — CID 134596299

IUPAC1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCn1cnc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)n1
InChIInChI=1S/C16H15FN6O/c1-22-10-18-15(21-22)23-9-6-13(20-23)19-14(24)16(7-8-16)11-4-2-3-5-12(11)17/h2-6,9-10H,7-8H2,1H3,(H,19,20,24)
InChIKeyKPVDABUSYZXAMW-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134596299) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134596299
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCn1cnc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)n1
InChIInChI=1S/C16H15FN6O/c1-22-10-18-15(21-22)23-9-6-13(20-23)19-14(24)16(7-8-16)11-4-2-3-5-12(11)17/h2-6,9-10H,7-8H2,1H3,(H,19,20,24)
InChIKeyKPVDABUSYZXAMW-UHFFFAOYSA-N
XLogP1.81
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589060
N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 135316111
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589053
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134588837
1-(2-fluorophenyl)-N-(1-pyridazin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596121
N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596514
1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134588716
N-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596540
1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine
CID 157390629
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476
N-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134709973
1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315834

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134596299) is 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide is Cn1cnc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is KPVDABUSYZXAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-22-10-18-15(21-22)23-9-6-13(20-23)19-14(24)16(7-8-16)11-4-2-3-5-12(11)17/h2-6,9-10H,7-8H2,1H3,(H,19,20,24).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134596299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).