5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

C15H19ClN4O — CID 115597258

IUPAC5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(N)ccc2Cl)n1
InChIInChI=1S/C15H19ClN4O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-9-12(17)4-5-14(13)16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,21)
InChIKeyLMEORJRYKCUTJT-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.56
Rot. Bonds5

About 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (PubChem CID 115597258) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
PubChem CID115597258
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(N)ccc2Cl)n1
InChIInChI=1S/C15H19ClN4O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-9-12(17)4-5-14(13)16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,21)
InChIKeyLMEORJRYKCUTJT-UHFFFAOYSA-N
XLogP2.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536102
4-amino-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxybenzamide
CID 119681221
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-4-carboxamide
CID 115599440
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (CID 115597258) is 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is Cc1cc(C)n(CCCNC(=O)c2cc(N)ccc2Cl)n1.
What is the InChIKey of 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The InChIKey is LMEORJRYKCUTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-9-12(17)4-5-14(13)16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,21).
What are the key properties of 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide has a molecular weight of 306.80 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 115597258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).