4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide

C11H10ClN5O — CID 6873495

IUPAC4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)N/N=C/c1ccccn1
InChIInChI=1S/C11H10ClN5O/c1-17-10(9(12)7-15-17)11(18)16-14-6-8-4-2-3-5-13-8/h2-7H,1H3,(H,16,18)/b14-6+
InChIKeyGDDPPKPBCXWUSM-MKMNVTDBSA-N
MW263.69 g/mol
LogP1.23
Rot. Bonds3

About 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide (PubChem CID 6873495) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide
PubChem CID6873495
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)N/N=C/c1ccccn1
InChIInChI=1S/C11H10ClN5O/c1-17-10(9(12)7-15-17)11(18)16-14-6-8-4-2-3-5-13-8/h2-7H,1H3,(H,16,18)/b14-6+
InChIKeyGDDPPKPBCXWUSM-MKMNVTDBSA-N
XLogP1.23
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide (CID 6873495) is 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)N/N=C/c1ccccn1.
What is the InChIKey of 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide?
The InChIKey is GDDPPKPBCXWUSM-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-17-10(9(12)7-15-17)11(18)16-14-6-8-4-2-3-5-13-8/h2-7H,1H3,(H,16,18)/b14-6+.
What are the key properties of 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide has a molecular weight of 263.69 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-5-carboxamide is sourced from PubChem (CID 6873495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).