4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H14ClF3N6O2 — CID 19481723

IUPAC4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cc2)n1
InChIInChI=1S/C17H14ClF3N6O2/c1-26-8-7-11(24-26)15(28)22-9-3-5-10(6-4-9)23-16(29)13-12(18)14(17(19,20)21)25-27(13)2/h3-8H,1-2H3,(H,22,28)(H,23,29)
InChIKeyCFQMECMZAVZGEW-UHFFFAOYSA-N
MW426.79 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19481723) has the molecular formula C17H14ClF3N6O2 and a molecular weight of 426.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19481723
Molecular FormulaC17H14ClF3N6O2
Molecular Weight426.79 g/mol
Exact Mass426.08
IUPAC Name4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cc2)n1
InChIInChI=1S/C17H14ClF3N6O2/c1-26-8-7-11(24-26)15(28)22-9-3-5-10(6-4-9)23-16(29)13-12(18)14(17(19,20)21)25-27(13)2/h3-8H,1-2H3,(H,22,28)(H,23,29)
InChIKeyCFQMECMZAVZGEW-UHFFFAOYSA-N
XLogP3.33
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481136
4-chloro-N-(3-hydroxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506719
N-(5-bromo-2-pyridinyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4771991
1-methyl-N-[4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19530968
N-[4-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19519869
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481522
1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
CID 35761971
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 14836867
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19481723) is 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1ccc(C(=O)Nc2ccc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cc2)n1.
What is the InChIKey of 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is CFQMECMZAVZGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N6O2/c1-26-8-7-11(24-26)15(28)22-9-3-5-10(6-4-9)23-16(29)13-12(18)14(17(19,20)21)25-27(13)2/h3-8H,1-2H3,(H,22,28)(H,23,29).
What are the key properties of 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 426.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19481723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).