5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide

C16H16FN3O — CID 99784094

IUPAC5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H16FN3O/c17-11-3-1-2-10(6-11)12-7-14(12)18-16(21)15-8-13(19-20-15)9-4-5-9/h1-3,6,8-9,12,14H,4-5,7H2,(H,18,21)(H,19,20)/t12-,14+/m0/s1
InChIKeyBTEDLNVFVILHIR-GXTWGEPZSA-N
MW285.32 g/mol
LogP2.71
Rot. Bonds4

About 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide (PubChem CID 99784094) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide
PubChem CID99784094
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H16FN3O/c17-11-3-1-2-10(6-11)12-7-14(12)18-16(21)15-8-13(19-20-15)9-4-5-9/h1-3,6,8-9,12,14H,4-5,7H2,(H,18,21)(H,19,20)/t12-,14+/m0/s1
InChIKeyBTEDLNVFVILHIR-GXTWGEPZSA-N
XLogP2.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 95194718
N-[2-(3-fluorophenyl)cyclopropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71883968
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
5-cyclopropyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 46578014
N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 95186028
N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 19590906
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
CID 95588991
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 25341933
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide (CID 99784094) is 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide is O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BTEDLNVFVILHIR-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-11-3-1-2-10(6-11)12-7-14(12)18-16(21)15-8-13(19-20-15)9-4-5-9/h1-3,6,8-9,12,14H,4-5,7H2,(H,18,21)(H,19,20)/t12-,14+/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 99784094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).