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

C16H13ClF3N5O — CID 53324215

IUPAC1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cnn(Cc3ccc(Cl)c(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)11-7-21-25(9-11)8-10-2-3-13(17)12(6-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,22,23,26)
InChIKeyACFDGEIOKJPZDC-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.59
Rot. Bonds4

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

1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide (PubChem CID 53324215) has the molecular formula C16H13ClF3N5O and a molecular weight of 383.76 g/mol. Its IUPAC name is 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
PubChem CID53324215
Molecular FormulaC16H13ClF3N5O
Molecular Weight383.76 g/mol
Exact Mass383.08
IUPAC Name1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cnn(Cc3ccc(Cl)c(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)11-7-21-25(9-11)8-10-2-3-13(17)12(6-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,22,23,26)
InChIKeyACFDGEIOKJPZDC-UHFFFAOYSA-N
XLogP3.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 6208824
1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-imidazole-4-carboxamide
CID 51346910
2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-dioxobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 52942707
1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 53324216
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]acetamide
CID 1247534
N-[(2,4-dichlorophenyl)methyl]-7-(difluoromethyl)-5-methylidene-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136153030
N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 1246685
(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 134808777
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 3677514
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
CID 5302806

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide (CID 53324215) is 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide is Cn1ccc(NC(=O)c2cnn(Cc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.
What is the InChIKey of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is ACFDGEIOKJPZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)11-7-21-25(9-11)8-10-2-3-13(17)12(6-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,22,23,26).
What are the key properties of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide?
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 383.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 53324215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).