N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C16H18FN3O2 — CID 46171462

IUPACN-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3CC3)n(C)n2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-20-15(16(21)18-9-10-3-4-10)8-14(19-20)12-6-5-11(22-2)7-13(12)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyGKUWEDJPCZDEKR-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.37
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 46171462) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID46171462
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3CC3)n(C)n2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-20-15(16(21)18-9-10-3-4-10)8-14(19-20)12-6-5-11(22-2)7-13(12)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyGKUWEDJPCZDEKR-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 1b
CID 25218466
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N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
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N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
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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-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 46171462) is N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCC3CC3)n(C)n2)c(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GKUWEDJPCZDEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-20-15(16(21)18-9-10-3-4-10)8-14(19-20)12-6-5-11(22-2)7-13(12)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 46171462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).