N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H25F3N4O — CID 119660528

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)N(C)CCC(N)C(C)C)c2C(F)(F)F)cc1
InChIInChI=1S/C19H25F3N4O/c1-12(2)16(23)9-10-25(4)18(27)15-11-24-26(17(15)19(20,21)22)14-7-5-13(3)6-8-14/h5-8,11-12,16H,9-10,23H2,1-4H3
InChIKeyHFDXALVVQQCPMK-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.64
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 119660528) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID119660528
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)N(C)CCC(N)C(C)C)c2C(F)(F)F)cc1
InChIInChI=1S/C19H25F3N4O/c1-12(2)16(23)9-10-25(4)18(27)15-11-24-26(17(15)19(20,21)22)14-7-5-13(3)6-8-14/h5-8,11-12,16H,9-10,23H2,1-4H3
InChIKeyHFDXALVVQQCPMK-UHFFFAOYSA-N
XLogP3.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 119660528) is N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)N(C)CCC(N)C(C)C)c2C(F)(F)F)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HFDXALVVQQCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-12(2)16(23)9-10-25(4)18(27)15-11-24-26(17(15)19(20,21)22)14-7-5-13(3)6-8-14/h5-8,11-12,16H,9-10,23H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119660528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).