4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride

C13H17ClN4O — CID 154901499

IUPAC4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCCc2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O.ClH/c14-7-10-1-3-12(4-2-10)13(18)15-6-5-11-8-16-17-9-11;/h1-4,8-9H,5-7,14H2,(H,15,18)(H,16,17);1H
InChIKeyOQXJOVXCJDXANC-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.26
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride (PubChem CID 154901499) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
PubChem CID154901499
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCCc2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O.ClH/c14-7-10-1-3-12(4-2-10)13(18)15-6-5-11-8-16-17-9-11;/h1-4,8-9H,5-7,14H2,(H,15,18)(H,16,17);1H
InChIKeyOQXJOVXCJDXANC-UHFFFAOYSA-N
XLogP1.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 77093843
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride (CID 154901499) is 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NCCc2cn[nH]c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride?
The InChIKey is OQXJOVXCJDXANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c14-7-10-1-3-12(4-2-10)13(18)15-6-5-11-8-16-17-9-11;/h1-4,8-9H,5-7,14H2,(H,15,18)(H,16,17);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 154901499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).