N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide

C16H18FN3O2 — CID 46105519

IUPACN-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(OC)cc2F)cc1C(=O)NC1CC1
InChIInChI=1S/C16H18FN3O2/c1-3-20-15(16(21)18-10-4-5-10)9-14(19-20)12-7-6-11(22-2)8-13(12)17/h6-10H,3-5H2,1-2H3,(H,18,21)
InChIKeyZXXJNLIQTIWXBJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.61
Rot. Bonds5

About N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide

N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 46105519) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID46105519
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(OC)cc2F)cc1C(=O)NC1CC1
InChIInChI=1S/C16H18FN3O2/c1-3-20-15(16(21)18-10-4-5-10)9-14(19-20)12-7-6-11(22-2)8-13(12)17/h6-10H,3-5H2,1-2H3,(H,18,21)
InChIKeyZXXJNLIQTIWXBJ-UHFFFAOYSA-N
XLogP2.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 1b
CID 25218466
N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
N-(2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25216415
1-(3-((2-aminoethylamino)methyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46879898
N-(5-fluoro-2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880096
5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)-N-[(2S)-1-oxo-1-(2-oxobutylamino)-4-phenylbutan-2-yl]pyrazole-3-carboxamide
CID 118568960
N-[(3S)-1-(cyclobutylamino)-5-cyclohexyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568978
N-[(3S)-5-cyclohexyl-1-oxo-1-(2-oxobutylamino)pentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568985

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide (CID 46105519) is N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide is CCn1nc(-c2ccc(OC)cc2F)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is ZXXJNLIQTIWXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-3-20-15(16(21)18-10-4-5-10)9-14(19-20)12-7-6-11(22-2)8-13(12)17/h6-10H,3-5H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide?
N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 46105519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).