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

C16H18ClF3N6O2 — CID 19338681

IUPAC4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1C(=O)N1CCCCC1
InChIInChI=1S/C16H18ClF3N6O2/c1-24-11(15(28)26-6-4-3-5-7-26)9(8-21-24)22-14(27)12-10(17)13(16(18,19)20)23-25(12)2/h8H,3-7H2,1-2H3,(H,22,27)
InChIKeyYVNLVFGKWVGIRZ-UHFFFAOYSA-N
MW418.81 g/mol
LogP2.70
Rot. Bonds3

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

4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19338681) has the molecular formula C16H18ClF3N6O2 and a molecular weight of 418.81 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19338681
Molecular FormulaC16H18ClF3N6O2
Molecular Weight418.81 g/mol
Exact Mass418.11
IUPAC Name4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1C(=O)N1CCCCC1
InChIInChI=1S/C16H18ClF3N6O2/c1-24-11(15(28)26-6-4-3-5-7-26)9(8-21-24)22-14(27)12-10(17)13(16(18,19)20)23-25(12)2/h8H,3-7H2,1-2H3,(H,22,27)
InChIKeyYVNLVFGKWVGIRZ-UHFFFAOYSA-N
XLogP2.70
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.81
LogP ≤ 52.70
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-propyl-1H-pyrazole-3-carboxamide
CID 4776652
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-1,3-dimethyl-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 119068429
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
4-({[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4768284
N-[5-(Aminocarbonyl)-1-methyl-1H-pyrazol-4-YL]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768469
4-({2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4769587
4-[2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770133
4-({[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4770494

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19338681) is 4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1ncc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1C(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YVNLVFGKWVGIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N6O2/c1-24-11(15(28)26-6-4-3-5-7-26)9(8-21-24)22-14(27)12-10(17)13(16(18,19)20)23-25(12)2/h8H,3-7H2,1-2H3,(H,22,27).
What are the key properties of 4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 418.81 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 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-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19338681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).