1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide

C17H15N5O — CID 134596279

IUPAC1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cncnc2)n1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H15N5O/c23-16(17(7-8-17)13-4-2-1-3-5-13)20-15-6-9-22(21-15)14-10-18-12-19-11-14/h1-6,9-12H,7-8H2,(H,20,21,23)
InChIKeyXFMVLSFLMSXFGP-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.33
Rot. Bonds4

About 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide

1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 134596279) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID134596279
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cncnc2)n1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H15N5O/c23-16(17(7-8-17)13-4-2-1-3-5-13)20-15-6-9-22(21-15)14-10-18-12-19-11-14/h1-6,9-12H,7-8H2,(H,20,21,23)
InChIKeyXFMVLSFLMSXFGP-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
1-phenyl-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589054
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134596485
N-[1-(4-fluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596341
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 55547687
1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
N-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596540
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134588837
1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 129336211
N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 62880545
4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 119702679

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 134596279) is 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2cncnc2)n1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is XFMVLSFLMSXFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(17(7-8-17)13-4-2-1-3-5-13)20-15-6-9-22(21-15)14-10-18-12-19-11-14/h1-6,9-12H,7-8H2,(H,20,21,23).
What are the key properties of 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134596279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).