1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide

C17H14FN5O — CID 134588837

IUPAC1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccncn2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C17H14FN5O/c18-13-4-2-1-3-12(13)17(7-8-17)16(24)21-14-6-10-23(22-14)15-5-9-19-11-20-15/h1-6,9-11H,7-8H2,(H,21,22,24)
InChIKeyMWXYIILXDSVAFJ-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 134588837) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID134588837
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccncn2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C17H14FN5O/c18-13-4-2-1-3-12(13)17(7-8-17)16(24)21-14-6-10-23(22-14)15-5-9-19-11-20-15/h1-6,9-11H,7-8H2,(H,21,22,24)
InChIKeyMWXYIILXDSVAFJ-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589054
1-(2-fluorophenyl)-N-(1-pyridazin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596121
1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589060
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589053
N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 135316111
1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596299
N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596514
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
N-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596540
1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134588716
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476
1-(2-fluorophenyl)-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 110463999

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 134588837) is 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccncn2)n1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is MWXYIILXDSVAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-13-4-2-1-3-12(13)17(7-8-17)16(24)21-14-6-10-23(22-14)15-5-9-19-11-20-15/h1-6,9-11H,7-8H2,(H,21,22,24).
What are the key properties of 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134588837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).