4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C11H11ClF3N5O — CID 19267927

IUPAC4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1cc(CNC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cn1
InChIInChI=1S/C11H11ClF3N5O/c1-19-5-6(4-17-19)3-16-10(21)8-7(12)9(11(13,14)15)20(2)18-8/h4-5H,3H2,1-2H3,(H,16,21)
InChIKeySAEIXZIVTSRJLB-UHFFFAOYSA-N
MW321.69 g/mol
LogP1.76
Rot. Bonds3

About 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267927) has the molecular formula C11H11ClF3N5O and a molecular weight of 321.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267927
Molecular FormulaC11H11ClF3N5O
Molecular Weight321.69 g/mol
Exact Mass321.06
IUPAC Name4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1cc(CNC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cn1
InChIInChI=1S/C11H11ClF3N5O/c1-19-5-6(4-17-19)3-16-10(21)8-7(12)9(11(13,14)15)20(2)18-8/h4-5H,3H2,1-2H3,(H,16,21)
InChIKeySAEIXZIVTSRJLB-UHFFFAOYSA-N
XLogP1.76
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267637
4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268098
N-[(4-tert-butylphenyl)methyl]-4-chloro-5-(1,1-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 24865553
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-amino-4,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61349240
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitropyrazole-3-carboxamide
CID 19266472
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
3-chloro-5-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464350
4-chloro-N-[2-(diethylamino)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268103
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267927) is 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1cc(CNC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cn1.
What is the InChIKey of 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is SAEIXZIVTSRJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5O/c1-19-5-6(4-17-19)3-16-10(21)8-7(12)9(11(13,14)15)20(2)18-8/h4-5H,3H2,1-2H3,(H,16,21).
What are the key properties of 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 321.69 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).