5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide

C15H18FN3O2 — CID 46105038

IUPAC5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(OC)cc2F)n(C)n1
InChIInChI=1S/C15H18FN3O2/c1-4-7-17-15(20)13-9-14(19(2)18-13)11-6-5-10(21-3)8-12(11)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,20)
InChIKeyGNQNMLQRALIISY-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.37
Rot. Bonds5

About 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide

5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide (PubChem CID 46105038) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
PubChem CID46105038
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(OC)cc2F)n(C)n1
InChIInChI=1S/C15H18FN3O2/c1-4-7-17-15(20)13-9-14(19(2)18-13)11-6-5-10(21-3)8-12(11)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,20)
InChIKeyGNQNMLQRALIISY-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
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-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
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CID 3662930
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CID 10076914
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CID 10461326
3-(4-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)propanoic acid
CID 10483611
2-Methyl-2-[2-methyl-4-[[[1-methyl-5-(4-prop-2-enoxyphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide (CID 46105038) is 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1cc(-c2ccc(OC)cc2F)n(C)n1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide?
The InChIKey is GNQNMLQRALIISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-4-7-17-15(20)13-9-14(19(2)18-13)11-6-5-10(21-3)8-12(11)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,20).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide?
5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide has a molecular weight of 291.33 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 5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 46105038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).