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

C14H16ClF3N6O2 — CID 19268107

IUPAC4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1C(=O)N(C)C
InChIInChI=1S/C14H16ClF3N6O2/c1-5-24-10(13(26)22(2)3)7(6-19-24)20-12(25)9-8(15)11(14(16,17)18)23(4)21-9/h6H,5H2,1-4H3,(H,20,25)
InChIKeyCSRRYJOVBFJEKK-UHFFFAOYSA-N
MW392.77 g/mol
LogP2.26
Rot. Bonds4

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

4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268107) has the molecular formula C14H16ClF3N6O2 and a molecular weight of 392.77 g/mol. Its IUPAC name is 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19268107
Molecular FormulaC14H16ClF3N6O2
Molecular Weight392.77 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1C(=O)N(C)C
InChIInChI=1S/C14H16ClF3N6O2/c1-5-24-10(13(26)22(2)3)7(6-19-24)20-12(25)9-8(15)11(14(16,17)18)23(4)21-9/h6H,5H2,1-4H3,(H,20,25)
InChIKeyCSRRYJOVBFJEKK-UHFFFAOYSA-N
XLogP2.26
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
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
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-5-{[2-(1H-pyrazol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-3-(trifluoromethyl)-1H-pyrazole
CID 50969549
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
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4768135

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19268107) is 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CCn1ncc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1C(=O)N(C)C.
What is the InChIKey of 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is CSRRYJOVBFJEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N6O2/c1-5-24-10(13(26)22(2)3)7(6-19-24)20-12(25)9-8(15)11(14(16,17)18)23(4)21-9/h6H,5H2,1-4H3,(H,20,25).
What are the key properties of 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 392.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).