N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H13ClN4O — CID 760857

IUPACN-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H13ClN4O/c15-11-5-1-9(2-6-11)8-16-19-14(20)13-7-12(17-18-13)10-3-4-10/h1-2,5-8,10H,3-4H2,(H,17,18)(H,19,20)
InChIKeyPJEUAQVLFIRAKO-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.70
Rot. Bonds4

About N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 760857) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID760857
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H13ClN4O/c15-11-5-1-9(2-6-11)8-16-19-14(20)13-7-12(17-18-13)10-3-4-10/h1-2,5-8,10H,3-4H2,(H,17,18)(H,19,20)
InChIKeyPJEUAQVLFIRAKO-UHFFFAOYSA-N
XLogP2.70
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.70
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-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 760857) is N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide is O=C(NN=Cc1ccc(Cl)cc1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is PJEUAQVLFIRAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-11-5-1-9(2-6-11)8-16-19-14(20)13-7-12(17-18-13)10-3-4-10/h1-2,5-8,10H,3-4H2,(H,17,18)(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 288.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 760857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).