N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide

C14H14FN3O — CID 110484321

IUPACN-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C14H14FN3O/c1-9-8-12(18-17-9)13(19)16-14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeySNXZAECWVOSGBG-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.28
Rot. Bonds3

About N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 110484321) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID110484321
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C14H14FN3O/c1-9-8-12(18-17-9)13(19)16-14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeySNXZAECWVOSGBG-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46963776
N-[1-(4-fluorophenyl)cyclopropyl]-2-methylbenzamide
CID 110483009
N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484328
N-[1-(4-fluorophenyl)cyclopropyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835103
methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 47355117
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 110484321) is N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2(c3ccc(F)cc3)CC2)n[nH]1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is SNXZAECWVOSGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9-8-12(18-17-9)13(19)16-14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110484321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).