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

C14H16ClF3N6O2 — CID 19396301

IUPAC4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)cnn1C
InChIInChI=1S/C14H16ClF3N6O2/c1-4-5-19-12(25)9-7(6-20-23(9)2)21-13(26)10-8(15)11(14(16,17)18)22-24(10)3/h6H,4-5H2,1-3H3,(H,19,25)(H,21,26)
InChIKeyKJBDESNQIYYETH-UHFFFAOYSA-N
MW392.77 g/mol
LogP2.22
Rot. Bonds5

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

4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19396301) has the molecular formula C14H16ClF3N6O2 and a molecular weight of 392.77 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19396301
Molecular FormulaC14H16ClF3N6O2
Molecular Weight392.77 g/mol
Exact Mass392.10
IUPAC Name4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)cnn1C
InChIInChI=1S/C14H16ClF3N6O2/c1-4-5-19-12(25)9-7(6-20-23(9)2)21-13(26)10-8(15)11(14(16,17)18)22-24(10)3/h6H,4-5H2,1-3H3,(H,19,25)(H,21,26)
InChIKeyKJBDESNQIYYETH-UHFFFAOYSA-N
XLogP2.22
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[2-(4-Chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
CID 4776458
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
CID 4776652
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916
4-chloro-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 17024057
1-(2-aminoethyl)-N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70721024
N-cyclopentyl-4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17025340
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]acetamide
CID 19584805
4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 74249066
4-chloro-1,3-dimethyl-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 119068429
4-chloro-1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 126451112
N-[5-(aminocarbonyl)-1-methyl-1H-pyrazol-4-yl]-4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19396301) is 4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)cnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KJBDESNQIYYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N6O2/c1-4-5-19-12(25)9-7(6-20-23(9)2)21-13(26)10-8(15)11(14(16,17)18)22-24(10)3/h6H,4-5H2,1-3H3,(H,19,25)(H,21,26).
What are the key properties of 4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 392.77 g/mol, XLogP of 2.22, 5 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-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19396301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).