N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

C16H16FN5O3S — CID 166233377

IUPACN-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cn(C)nc2-c2cnn(C)c2)ccc1F
InChIInChI=1S/C16H16FN5O3S/c1-10-6-12(4-5-14(10)17)26(24,25)20-16(23)13-9-22(3)19-15(13)11-7-18-21(2)8-11/h4-9H,1-3H3,(H,20,23)
InChIKeyJBBDNJPEXCQWQP-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.39
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (PubChem CID 166233377) has the molecular formula C16H16FN5O3S and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
PubChem CID166233377
Molecular FormulaC16H16FN5O3S
Molecular Weight377.40 g/mol
Exact Mass377.10
IUPAC NameN-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cn(C)nc2-c2cnn(C)c2)ccc1F
InChIInChI=1S/C16H16FN5O3S/c1-10-6-12(4-5-14(10)17)26(24,25)20-16(23)13-9-22(3)19-15(13)11-7-18-21(2)8-11/h4-9H,1-3H3,(H,20,23)
InChIKeyJBBDNJPEXCQWQP-UHFFFAOYSA-N
XLogP1.39
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (CID 166233377) is N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is Cc1cc(S(=O)(=O)NC(=O)c2cn(C)nc2-c2cnn(C)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is JBBDNJPEXCQWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S/c1-10-6-12(4-5-14(10)17)26(24,25)20-16(23)13-9-22(3)19-15(13)11-7-18-21(2)8-11/h4-9H,1-3H3,(H,20,23).
What are the key properties of N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 166233377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).