4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

C16H20ClF3N6O2 — CID 17023022

IUPAC4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c1C(=O)N(C)C
InChIInChI=1S/C16H20ClF3N6O2/c1-5-25-13(15(28)24(3)4)10(8-21-25)22-11(27)6-7-26-9(2)12(17)14(23-26)16(18,19)20/h8H,5-7H2,1-4H3,(H,22,27)
InChIKeyCEOAKXFMKOBUIP-UHFFFAOYSA-N
MW420.82 g/mol
LogP2.81
Rot. Bonds6

About 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 17023022) has the molecular formula C16H20ClF3N6O2 and a molecular weight of 420.82 g/mol. Its IUPAC name is 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
PubChem CID17023022
Molecular FormulaC16H20ClF3N6O2
Molecular Weight420.82 g/mol
Exact Mass420.13
IUPAC Name4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c1C(=O)N(C)C
InChIInChI=1S/C16H20ClF3N6O2/c1-5-25-13(15(28)24(3)4)10(8-21-25)22-11(27)6-7-26-9(2)12(17)14(23-26)16(18,19)20/h8H,5-7H2,1-4H3,(H,22,27)
InChIKeyCEOAKXFMKOBUIP-UHFFFAOYSA-N
XLogP2.81
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1H-pyrazole-3-carboxamide
CID 4772788
4-chloro-1-({4-nitro-1-methyl-1H-pyrazol-5-yl}carbonyl)-3,5-dimethyl-1H-pyrazole
CID 1222419
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-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19398390
1-(2-aminoethyl)-N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70721024
4-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1-methyl-1H-pyrazole-3-carboxamide
CID 4771958
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (CID 17023022) is 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c1C(=O)N(C)C.
What is the InChIKey of 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is CEOAKXFMKOBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N6O2/c1-5-25-13(15(28)24(3)4)10(8-21-25)22-11(27)6-7-26-9(2)12(17)14(23-26)16(18,19)20/h8H,5-7H2,1-4H3,(H,22,27).
What are the key properties of 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 420.82 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 17023022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).