N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide

C15H19FN4O2 — CID 119498479

IUPACN-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCCC(C)N)n1
InChIInChI=1S/C15H19FN4O2/c1-9-7-11(16)3-4-12(9)20-8-13(21)14(19-20)15(22)18-6-5-10(2)17/h3-4,7-8,10,21H,5-6,17H2,1-2H3,(H,18,22)
InChIKeyHDCXPTCFSZXSGZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.49
Rot. Bonds5

About N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide

N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide (PubChem CID 119498479) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
PubChem CID119498479
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC NameN-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCCC(C)N)n1
InChIInChI=1S/C15H19FN4O2/c1-9-7-11(16)3-4-12(9)20-8-13(21)14(19-20)15(22)18-6-5-10(2)17/h3-4,7-8,10,21H,5-6,17H2,1-2H3,(H,18,22)
InChIKeyHDCXPTCFSZXSGZ-UHFFFAOYSA-N
XLogP1.49
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide (CID 119498479) is N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCCC(C)N)n1.
What is the InChIKey of N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The InChIKey is HDCXPTCFSZXSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-9-7-11(16)3-4-12(9)20-8-13(21)14(19-20)15(22)18-6-5-10(2)17/h3-4,7-8,10,21H,5-6,17H2,1-2H3,(H,18,22).
What are the key properties of N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 119498479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).