N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide

C18H23F3N4O — CID 143256225

IUPACN-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCCCCc1cc(N)n(-c2ccc(CC)c(N(C)C(=O)C(F)(F)F)c2)n1
InChIInChI=1S/C18H23F3N4O/c1-4-6-7-13-10-16(22)25(23-13)14-9-8-12(5-2)15(11-14)24(3)17(26)18(19,20)21/h8-11H,4-7,22H2,1-3H3
InChIKeyPJTQXHYRIAWUJY-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.88
Rot. Bonds6

About N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide

N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 143256225) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID143256225
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC NameN-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCCCCc1cc(N)n(-c2ccc(CC)c(N(C)C(=O)C(F)(F)F)c2)n1
InChIInChI=1S/C18H23F3N4O/c1-4-6-7-13-10-16(22)25(23-13)14-9-8-12(5-2)15(11-14)24(3)17(26)18(19,20)21/h8-11H,4-7,22H2,1-3H3
InChIKeyPJTQXHYRIAWUJY-UHFFFAOYSA-N
XLogP3.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
CID 143256407
4-(5-amino-3-butylpyrazol-1-yl)-2-chlorobenzoic acid
CID 137427954
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
ethyl 3-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]-2-methylpropanoate
CID 143176977
8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 143256679
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
3-butyl-1-pyridin-3-ylpyrazol-5-amine
CID 174520320
1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
CID 82089365
3-butyl-1-(3-pyridin-3-ylphenyl)pyrazol-5-amine
CID 143256295
1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
N-(2-ethyl-4-nitrophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 91681069

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide (CID 143256225) is N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide is CCCCc1cc(N)n(-c2ccc(CC)c(N(C)C(=O)C(F)(F)F)c2)n1.
What is the InChIKey of N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is PJTQXHYRIAWUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-4-6-7-13-10-16(22)25(23-13)14-9-8-12(5-2)15(11-14)24(3)17(26)18(19,20)21/h8-11H,4-7,22H2,1-3H3.
What are the key properties of N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide?
N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 368.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-amino-3-butylpyrazol-1-yl)-2-ethylphenyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 143256225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).