N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C15H15ClN4O — CID 51057011

IUPACN-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O/c1-9(11-4-2-3-5-12(11)16)17-20-15(21)14-8-13(18-19-14)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,18,19)(H,20,21)/b17-9+
InChIKeyWECBFGUVBQNWBA-RQZCQDPDSA-N
MW302.76 g/mol
LogP3.09
Rot. Bonds4

About N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 51057011) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID51057011
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC NameN-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN4O/c1-9(11-4-2-3-5-12(11)16)17-20-15(21)14-8-13(18-19-14)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,18,19)(H,20,21)/b17-9+
InChIKeyWECBFGUVBQNWBA-RQZCQDPDSA-N
XLogP3.09
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 51057011) is N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1Cl.
What is the InChIKey of N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is WECBFGUVBQNWBA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9(11-4-2-3-5-12(11)16)17-20-15(21)14-8-13(18-19-14)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51057011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).