3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride

C15H20ClN5O2 — CID 119431722

IUPAC3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-17-8-5-9-18-15(22)12-10-13(14(16)21)20(19-12)11-6-3-2-4-7-11;/h2-4,6-7,10,17H,5,8-9H2,1H3,(H2,16,21)(H,18,22);1H
InChIKeyRQSCXEVPVTWJMB-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.73
Rot. Bonds7

About 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride

3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride (PubChem CID 119431722) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
PubChem CID119431722
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-17-8-5-9-18-15(22)12-10-13(14(16)21)20(19-12)11-6-3-2-4-7-11;/h2-4,6-7,10,17H,5,8-9H2,1H3,(H2,16,21)(H,18,22);1H
InChIKeyRQSCXEVPVTWJMB-UHFFFAOYSA-N
XLogP0.73
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 95327410
1-[[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544814
N-[3-(methylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119430820
1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119128240
1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
CID 119128221
N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119432306
N-[4-(4-fluorophenoxy)butyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55760014
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809
2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
CID 119431033
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119659251

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride (CID 119431722) is 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride is CNCCCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl.
What is the InChIKey of 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The InChIKey is RQSCXEVPVTWJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.ClH/c1-17-8-5-9-18-15(22)12-10-13(14(16)21)20(19-12)11-6-3-2-4-7-11;/h2-4,6-7,10,17H,5,8-9H2,1H3,(H2,16,21)(H,18,22);1H.
What are the key properties of 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 119431722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).