4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride

C14H19ClN4O — CID 119730438

IUPAC4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
SMILESCc1c(C(C)NC(=O)c2ccc(N)cc2)cnn1C.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9(13-8-16-18(3)10(13)2)17-14(19)11-4-6-12(15)7-5-11;/h4-9H,15H2,1-3H3,(H,17,19);1H
InChIKeyBDKHXQNGGQGVBD-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.22
Rot. Bonds3

About 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride

4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride (PubChem CID 119730438) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
PubChem CID119730438
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
SMILESCc1c(C(C)NC(=O)c2ccc(N)cc2)cnn1C.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9(13-8-16-18(3)10(13)2)17-14(19)11-4-6-12(15)7-5-11;/h4-9H,15H2,1-3H3,(H,17,19);1H
InChIKeyBDKHXQNGGQGVBD-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

6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728
3-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylbenzamide
CID 104852148
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
5-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 47027992
methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 47027987
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 100844657
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]naphthalene-2-carboxamide
CID 59544180
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride (CID 119730438) is 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride is Cc1c(C(C)NC(=O)c2ccc(N)cc2)cnn1C.Cl.
What is the InChIKey of 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
The InChIKey is BDKHXQNGGQGVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-9(13-8-16-18(3)10(13)2)17-14(19)11-4-6-12(15)7-5-11;/h4-9H,15H2,1-3H3,(H,17,19);1H.
What are the key properties of 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride?
4-amino-N-[1-(1,5-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 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119730438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).