2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride

C15H19ClN4O — CID 119822829

IUPAC2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride
SMILESCl.Cn1nc2c(c1NC(=O)Cc1ccc(N)cc1)CCC2
InChIInChI=1S/C15H18N4O.ClH/c1-19-15(12-3-2-4-13(12)18-19)17-14(20)9-10-5-7-11(16)8-6-10;/h5-8H,2-4,9,16H2,1H3,(H,17,20);1H
InChIKeySKVYTANVAYPCBN-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride (PubChem CID 119822829) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride
PubChem CID119822829
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride
SMILESCl.Cn1nc2c(c1NC(=O)Cc1ccc(N)cc1)CCC2
InChIInChI=1S/C15H18N4O.ClH/c1-19-15(12-3-2-4-13(12)18-19)17-14(20)9-10-5-7-11(16)8-6-10;/h5-8H,2-4,9,16H2,1H3,(H,17,20);1H
InChIKeySKVYTANVAYPCBN-UHFFFAOYSA-N
XLogP2.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride (CID 119822829) is 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride is Cl.Cn1nc2c(c1NC(=O)Cc1ccc(N)cc1)CCC2.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride?
The InChIKey is SKVYTANVAYPCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c1-19-15(12-3-2-4-13(12)18-19)17-14(20)9-10-5-7-11(16)8-6-10;/h5-8H,2-4,9,16H2,1H3,(H,17,20);1H.
What are the key properties of 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119822829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).