1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide

C15H20N4O — CID 64780077

IUPAC1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide
SMILESCCC(N)Cc1ccc(-n2cc(C(N)=O)cn2)c(C)c1
InChIInChI=1S/C15H20N4O/c1-3-13(16)7-11-4-5-14(10(2)6-11)19-9-12(8-18-19)15(17)20/h4-6,8-9,13H,3,7,16H2,1-2H3,(H2,17,20)
InChIKeyVXJSOQRLAQPXOL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds5

About 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide

1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide (PubChem CID 64780077) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide
PubChem CID64780077
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide
SMILESCCC(N)Cc1ccc(-n2cc(C(N)=O)cn2)c(C)c1
InChIInChI=1S/C15H20N4O/c1-3-13(16)7-11-4-5-14(10(2)6-11)19-9-12(8-18-19)15(17)20/h4-6,8-9,13H,3,7,16H2,1-2H3,(H2,17,20)
InChIKeyVXJSOQRLAQPXOL-UHFFFAOYSA-N
XLogP1.56
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide (CID 64780077) is 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide is CCC(N)Cc1ccc(-n2cc(C(N)=O)cn2)c(C)c1.
What is the InChIKey of 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide?
The InChIKey is VXJSOQRLAQPXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13(16)7-11-4-5-14(10(2)6-11)19-9-12(8-18-19)15(17)20/h4-6,8-9,13H,3,7,16H2,1-2H3,(H2,17,20).
What are the key properties of 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide?
1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64780077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).