1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide

C19H25F3N6O2 — CID 19523854

IUPAC1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)c1C(=O)N(C)C
InChIInChI=1S/C19H25F3N6O2/c1-4-27-16(18(30)26(2)3)13(10-23-27)24-15(29)11-28-14-9-7-5-6-8-12(14)17(25-28)19(20,21)22/h10H,4-9,11H2,1-3H3,(H,24,29)
InChIKeyINTVVLCLAVFYAW-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.73
Rot. Bonds5

About 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide

1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide (PubChem CID 19523854) has the molecular formula C19H25F3N6O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide
PubChem CID19523854
Molecular FormulaC19H25F3N6O2
Molecular Weight426.44 g/mol
Exact Mass426.20
IUPAC Name1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)c1C(=O)N(C)C
InChIInChI=1S/C19H25F3N6O2/c1-4-27-16(18(30)26(2)3)13(10-23-27)24-15(29)11-28-14-9-7-5-6-8-12(14)17(25-28)19(20,21)22/h10H,4-9,11H2,1-3H3,(H,24,29)
InChIKeyINTVVLCLAVFYAW-UHFFFAOYSA-N
XLogP2.73
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527286
N-(4-ethylphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523622
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19551924
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129689
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523821
N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 19523830
N-[(2-methyltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 136565212
N-(2-ethylpyrimidin-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 138016921
4-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19556451
N-(5-chloro-2-hydroxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527312
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129711
N-[4-(hydroxymethyl)-3-pyridinyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 138016938

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide (CID 19523854) is 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide is CCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)c1C(=O)N(C)C.
What is the InChIKey of 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide?
The InChIKey is INTVVLCLAVFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O2/c1-4-27-16(18(30)26(2)3)13(10-23-27)24-15(29)11-28-14-9-7-5-6-8-12(14)17(25-28)19(20,21)22/h10H,4-9,11H2,1-3H3,(H,24,29).
What are the key properties of 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide?
1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19523854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).