5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

C19H15ClFN5OS — CID 56555681

IUPAC5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)n[nH]2)s1
InChIInChI=1S/C19H15ClFN5OS/c1-10-3-8-15(28-10)14-9-16(24-23-14)22-19(27)17-11(2)25-26(18(17)20)13-6-4-12(21)5-7-13/h3-9H,1-2H3,(H2,22,23,24,27)
InChIKeyAZSYAXYVQQXUGL-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.99
Rot. Bonds4

About 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 56555681) has the molecular formula C19H15ClFN5OS and a molecular weight of 415.88 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID56555681
Molecular FormulaC19H15ClFN5OS
Molecular Weight415.88 g/mol
Exact Mass415.07
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)n[nH]2)s1
InChIInChI=1S/C19H15ClFN5OS/c1-10-3-8-15(28-10)14-9-16(24-23-14)22-19(27)17-11(2)25-26(18(17)20)13-6-4-12(21)5-7-13/h3-9H,1-2H3,(H2,22,23,24,27)
InChIKeyAZSYAXYVQQXUGL-UHFFFAOYSA-N
XLogP4.99
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (CID 56555681) is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is Cc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)n[nH]2)s1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is AZSYAXYVQQXUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5OS/c1-10-3-8-15(28-10)14-9-16(24-23-14)22-19(27)17-11(2)25-26(18(17)20)13-6-4-12(21)5-7-13/h3-9H,1-2H3,(H2,22,23,24,27).
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 56555681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).