2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride

C14H19ClN4O — CID 119944858

IUPAC2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
SMILESCc1nn(C)cc1C(C)NC(=O)c1ccccc1N.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9(12-8-18(3)17-10(12)2)16-14(19)11-6-4-5-7-13(11)15;/h4-9H,15H2,1-3H3,(H,16,19);1H
InChIKeyRDNNZELRQJZQAL-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride

2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride (PubChem CID 119944858) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
PubChem CID119944858
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
SMILESCc1nn(C)cc1C(C)NC(=O)c1ccccc1N.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9(12-8-18(3)17-10(12)2)16-14(19)11-6-4-5-7-13(11)15;/h4-9H,15H2,1-3H3,(H,16,19);1H
InChIKeyRDNNZELRQJZQAL-UHFFFAOYSA-N
XLogP2.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120624555
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 119741052
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 79225808
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 44823985

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride (CID 119944858) is 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride is Cc1nn(C)cc1C(C)NC(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The InChIKey is RDNNZELRQJZQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-9(12-8-18(3)17-10(12)2)16-14(19)11-6-4-5-7-13(11)15;/h4-9H,15H2,1-3H3,(H,16,19);1H.
What are the key properties of 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119944858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).