1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide

C12H13N5O — CID 169248666

IUPAC1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide
SMILESCc1cnccc1/N=C/NC(=O)c1ccn(C)n1
InChIInChI=1S/C12H13N5O/c1-9-7-13-5-3-10(9)14-8-15-12(18)11-4-6-17(2)16-11/h3-8H,1-2H3,(H,13,14,15,18)
InChIKeyPYSVCTZTWGEBGV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide

1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide (PubChem CID 169248666) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide
PubChem CID169248666
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide
SMILESCc1cnccc1/N=C/NC(=O)c1ccn(C)n1
InChIInChI=1S/C12H13N5O/c1-9-7-13-5-3-10(9)14-8-15-12(18)11-4-6-17(2)16-11/h3-8H,1-2H3,(H,13,14,15,18)
InChIKeyPYSVCTZTWGEBGV-UHFFFAOYSA-N
XLogP1.21
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide (CID 169248666) is 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide is Cc1cnccc1/N=C/NC(=O)c1ccn(C)n1.
What is the InChIKey of 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide?
The InChIKey is PYSVCTZTWGEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-9-7-13-5-3-10(9)14-8-15-12(18)11-4-6-17(2)16-11/h3-8H,1-2H3,(H,13,14,15,18).
What are the key properties of 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide?
1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methyl-4-pyridinyl)iminomethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 169248666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).