1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide

C15H20N4O — CID 64781044

IUPAC1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide
SMILESCCC(N)C(c1ccc(C)cc1)n1cc(C(N)=O)cn1
InChIInChI=1S/C15H20N4O/c1-3-13(16)14(11-6-4-10(2)5-7-11)19-9-12(8-18-19)15(17)20/h4-9,13-14H,3,16H2,1-2H3,(H2,17,20)
InChIKeyLDNQJLCYIULXST-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.62
Rot. Bonds5

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

1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide (PubChem CID 64781044) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide
PubChem CID64781044
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide
SMILESCCC(N)C(c1ccc(C)cc1)n1cc(C(N)=O)cn1
InChIInChI=1S/C15H20N4O/c1-3-13(16)14(11-6-4-10(2)5-7-11)19-9-12(8-18-19)15(17)20/h4-9,13-14H,3,16H2,1-2H3,(H2,17,20)
InChIKeyLDNQJLCYIULXST-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloropyrazol-1-yl)-1-(4-methylphenyl)butan-2-amine
CID 55015259
1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide
CID 64781614
1-(1-aminopentan-3-yl)pyrazole-4-carboxamide
CID 64780864
ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate
CID 81498506
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
ethyl 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrazole-4-carboxylate
CID 81496774
1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine
CID 62142049
4-amino-3-(4-methylphenyl)hexanoic acid
CID 66097527
1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 64782741
1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 174395549
1-(4-methylphenyl)-1-piperidin-1-ylbutan-2-amine
CID 55016527
4-(4-carbamoylpyrazol-1-yl)pentanoic acid
CID 62829226

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide (CID 64781044) is 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide is CCC(N)C(c1ccc(C)cc1)n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide?
The InChIKey is LDNQJLCYIULXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13(16)14(11-6-4-10(2)5-7-11)19-9-12(8-18-19)15(17)20/h4-9,13-14H,3,16H2,1-2H3,(H2,17,20).
What are the key properties of 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide?
1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64781044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).