2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride

C15H18ClN5O2 — CID 119944643

IUPAC2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C15H17N5O2.ClH/c16-13-4-2-1-3-12(13)15(22)19-11-7-17-20(8-11)9-14(21)18-10-5-6-10;/h1-4,7-8,10H,5-6,9,16H2,(H,18,21)(H,19,22);1H
InChIKeyNTHCEBGKQFBXJS-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride

2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride (PubChem CID 119944643) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
PubChem CID119944643
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C15H17N5O2.ClH/c16-13-4-2-1-3-12(13)15(22)19-11-7-17-20(8-11)9-14(21)18-10-5-6-10;/h1-4,7-8,10H,5-6,9,16H2,(H,18,21)(H,19,22);1H
InChIKeyNTHCEBGKQFBXJS-UHFFFAOYSA-N
XLogP1.42
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide
CID 66419223
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119945711
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
CID 62688152
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
CID 120589040
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119292226

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride (CID 119944643) is 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride is Cl.Nc1ccccc1C(=O)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride?
The InChIKey is NTHCEBGKQFBXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.ClH/c16-13-4-2-1-3-12(13)15(22)19-11-7-17-20(8-11)9-14(21)18-10-5-6-10;/h1-4,7-8,10H,5-6,9,16H2,(H,18,21)(H,19,22);1H.
What are the key properties of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride?
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride has a molecular weight of 335.80 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119944643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).