N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C19H20F3N3O — CID 70888464

IUPACN-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2C2CC(C3CC3)C2)c(C(F)(F)F)n1
InChIInChI=1S/C19H20F3N3O/c1-25-10-15(17(24-25)19(20,21)22)18(26)23-16-5-3-2-4-14(16)13-8-12(9-13)11-6-7-11/h2-5,10-13H,6-9H2,1H3,(H,23,26)
InChIKeyWQHDXXHCSUYGIE-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.59
Rot. Bonds4

About N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 70888464) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID70888464
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2C2CC(C3CC3)C2)c(C(F)(F)F)n1
InChIInChI=1S/C19H20F3N3O/c1-25-10-15(17(24-25)19(20,21)22)18(26)23-16-5-3-2-4-14(16)13-8-12(9-13)11-6-7-11/h2-5,10-13H,6-9H2,1H3,(H,23,26)
InChIKeyWQHDXXHCSUYGIE-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 70888464) is N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2C2CC(C3CC3)C2)c(C(F)(F)F)n1.
What is the InChIKey of N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WQHDXXHCSUYGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-25-10-15(17(24-25)19(20,21)22)18(26)23-16-5-3-2-4-14(16)13-8-12(9-13)11-6-7-11/h2-5,10-13H,6-9H2,1H3,(H,23,26).
What are the key properties of N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropylcyclobutyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 70888464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).