N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C21H22F3N5O — CID 139011629

IUPACN-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)[nH]n1
InChIInChI=1S/C21H22F3N5O/c1-11-19(12(2)29(3)28-11)17-10-18(27-26-17)20(30)25-16-8-14(9-16)13-5-4-6-15(7-13)21(22,23)24/h4-7,10,14,16H,8-9H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyDJWCXPAWQWMHCZ-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.12
Rot. Bonds4

About N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 139011629) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID139011629
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC NameN-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)[nH]n1
InChIInChI=1S/C21H22F3N5O/c1-11-19(12(2)29(3)28-11)17-10-18(27-26-17)20(30)25-16-8-14(9-16)13-5-4-6-15(7-13)21(22,23)24/h4-7,10,14,16H,8-9H2,1-3H3,(H,25,30)(H,26,27)
InChIKeyDJWCXPAWQWMHCZ-UHFFFAOYSA-N
XLogP4.12
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879668
1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 139011634
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 97264964
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880356
N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879952
N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880152
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119621412
N-(5-acetamido-2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879442
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78886851
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880151
N-(2-amino-1-cyclopropylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119617698

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 139011629) is N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)[nH]n1.
What is the InChIKey of N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is DJWCXPAWQWMHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c1-11-19(12(2)29(3)28-11)17-10-18(27-26-17)20(30)25-16-8-14(9-16)13-5-4-6-15(7-13)21(22,23)24/h4-7,10,14,16H,8-9H2,1-3H3,(H,25,30)(H,26,27).
What are the key properties of N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 139011629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).