4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide

C16H22N4O — CID 114536121

IUPAC4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(N)cc2C)n1
InChIInChI=1S/C16H22N4O/c1-11-9-14(17)5-6-15(11)16(21)18-7-4-8-20-13(3)10-12(2)19-20/h5-6,9-10H,4,7-8,17H2,1-3H3,(H,18,21)
InChIKeyRAZZPBYVCABLHV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.21
Rot. Bonds5

About 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide

4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide (PubChem CID 114536121) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
PubChem CID114536121
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(N)cc2C)n1
InChIInChI=1S/C16H22N4O/c1-11-9-14(17)5-6-15(11)16(21)18-7-4-8-20-13(3)10-12(2)19-20/h5-6,9-10H,4,7-8,17H2,1-3H3,(H,18,21)
InChIKeyRAZZPBYVCABLHV-UHFFFAOYSA-N
XLogP2.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.21
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

5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536102
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536108
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072536
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide?
The IUPAC name of 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide (CID 114536121) is 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide?
The canonical SMILES for 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide is Cc1cc(C)n(CCCNC(=O)c2ccc(N)cc2C)n1.
What is the InChIKey of 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide?
The InChIKey is RAZZPBYVCABLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-9-14(17)5-6-15(11)16(21)18-7-4-8-20-13(3)10-12(2)19-20/h5-6,9-10H,4,7-8,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide?
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide is sourced from PubChem (CID 114536121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).