2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

C15H19ClN4O — CID 114536102

IUPAC2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2c(N)cccc2Cl)n1
InChIInChI=1S/C15H19ClN4O/c1-10-9-11(2)20(19-10)8-4-7-18-15(21)14-12(16)5-3-6-13(14)17/h3,5-6,9H,4,7-8,17H2,1-2H3,(H,18,21)
InChIKeySKCVOWMXVKKALK-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.56
Rot. Bonds5

About 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (PubChem CID 114536102) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
PubChem CID114536102
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2c(N)cccc2Cl)n1
InChIInChI=1S/C15H19ClN4O/c1-10-9-11(2)20(19-10)8-4-7-18-15(21)14-12(16)5-3-6-13(14)17/h3,5-6,9H,4,7-8,17H2,1-2H3,(H,18,21)
InChIKeySKCVOWMXVKKALK-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'}

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Related Compounds

3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
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]-2-methylbenzamide
CID 114536121
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
4-amino-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxybenzamide
CID 119681221
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-4-carboxamide
CID 115599440
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (CID 114536102) is 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is Cc1cc(C)n(CCCNC(=O)c2c(N)cccc2Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The InChIKey is SKCVOWMXVKKALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-9-11(2)20(19-10)8-4-7-18-15(21)14-12(16)5-3-6-13(14)17/h3,5-6,9H,4,7-8,17H2,1-2H3,(H,18,21).
What are the key properties of 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
2-amino-6-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 2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 114536102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).