2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide

C15H21N5O — CID 114539587

IUPAC2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
SMILESCc1cc(C)n(CCCNc2ccc(N)c(C(N)=O)c2)n1
InChIInChI=1S/C15H21N5O/c1-10-8-11(2)20(19-10)7-3-6-18-12-4-5-14(16)13(9-12)15(17)21/h4-5,8-9,18H,3,6-7,16H2,1-2H3,(H2,17,21)
InChIKeyBWTAXVQFPHYJCZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide

2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide (PubChem CID 114539587) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
PubChem CID114539587
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
SMILESCc1cc(C)n(CCCNc2ccc(N)c(C(N)=O)c2)n1
InChIInChI=1S/C15H21N5O/c1-10-8-11(2)20(19-10)7-3-6-18-12-4-5-14(16)13(9-12)15(17)21/h4-5,8-9,18H,3,6-7,16H2,1-2H3,(H2,17,21)
InChIKeyBWTAXVQFPHYJCZ-UHFFFAOYSA-N
XLogP1.68
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
CID 114536234
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-2-carboxylic acid
CID 114537284
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline
CID 114537666
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
5-chloro-1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-fluorobenzene-1,2,4-triamine
CID 103553524

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide?
The IUPAC name of 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide (CID 114539587) is 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide.
What is the SMILES notation for 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide?
The canonical SMILES for 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide is Cc1cc(C)n(CCCNc2ccc(N)c(C(N)=O)c2)n1.
What is the InChIKey of 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide?
The InChIKey is BWTAXVQFPHYJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-8-11(2)20(19-10)7-3-6-18-12-4-5-14(16)13(9-12)15(17)21/h4-5,8-9,18H,3,6-7,16H2,1-2H3,(H2,17,21).
What are the key properties of 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide?
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide has a molecular weight of 287.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide is sourced from PubChem (CID 114539587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).