5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride

C17H17ClN6O — CID 11962997

IUPAC5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1
InChIInChI=1S/C17H16N6O.ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);1H
InChIKeyJTEXNYIOROVPIR-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.13
Rot. Bonds3

About 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride

5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 11962997) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID11962997
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1
InChIInChI=1S/C17H16N6O.ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);1H
InChIKeyJTEXNYIOROVPIR-UHFFFAOYSA-N
XLogP2.13
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride (CID 11962997) is 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is JTEXNYIOROVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O.ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);1H.
What are the key properties of 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride?
5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 356.82 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 11962997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).