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

C17H21F3N6O2 — CID 19523830

IUPACN,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2
InChIInChI=1S/C17H21F3N6O2/c1-21-16(28)14-11(8-25(2)23-14)22-13(27)9-26-12-7-5-3-4-6-10(12)15(24-26)17(18,19)20/h8H,3-7,9H2,1-2H3,(H,21,28)(H,22,27)
InChIKeyHFJOWRVROJRBCD-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.90
Rot. Bonds4

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

N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide (PubChem CID 19523830) has the molecular formula C17H21F3N6O2 and a molecular weight of 398.39 g/mol. Its IUPAC name is N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
PubChem CID19523830
Molecular FormulaC17H21F3N6O2
Molecular Weight398.39 g/mol
Exact Mass398.17
IUPAC NameN,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2
InChIInChI=1S/C17H21F3N6O2/c1-21-16(28)14-11(8-25(2)23-14)22-13(27)9-26-12-7-5-3-4-6-10(12)15(24-26)17(18,19)20/h8H,3-7,9H2,1-2H3,(H,21,28)(H,22,27)
InChIKeyHFJOWRVROJRBCD-UHFFFAOYSA-N
XLogP1.90
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-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-(2-nitrophenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523730
N-(4-ethylphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523622
N-(5-chloro-2-hydroxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527312
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129689
N-(2,5-dichlorophenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129682
N-pyridin-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267378
N-[2-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 51039463
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
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129711
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 146141181
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 N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 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) is N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2.
What is the InChIKey of N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide?
The InChIKey is HFJOWRVROJRBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O2/c1-21-16(28)14-11(8-25(2)23-14)22-13(27)9-26-12-7-5-3-4-6-10(12)15(24-26)17(18,19)20/h8H,3-7,9H2,1-2H3,(H,21,28)(H,22,27).
What are the key properties of N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide?
N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19523830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).