N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide

C14H14FN3O — CID 19407415

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)n1)C1CC1
InChIInChI=1S/C14H14FN3O/c15-12-3-1-2-10(8-12)9-18-7-6-13(17-18)16-14(19)11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,16,17,19)
InChIKeyPBSKNTODOQKTTJ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.42
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 19407415) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID19407415
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)n1)C1CC1
InChIInChI=1S/C14H14FN3O/c15-12-3-1-2-10(8-12)9-18-7-6-13(17-18)16-14(19)11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,16,17,19)
InChIKeyPBSKNTODOQKTTJ-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19404982
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19530332
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 19407437
4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19404881
3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19404955
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 35274293
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479975
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19285254

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide (CID 19407415) is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccn(Cc2cccc(F)c2)n1)C1CC1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is PBSKNTODOQKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-3-1-2-10(8-12)9-18-7-6-13(17-18)16-14(19)11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,16,17,19).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 19407415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).