N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide

C14H17N5O — CID 6870711

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C14H17N5O/c1-18(2)12-6-4-11(5-7-12)10-15-16-14(20)13-8-9-19(3)17-13/h4-10H,1-3H3,(H,16,20)/b15-10+
InChIKeyCOIKWWSLHBVWJM-XNTDXEJSSA-N
MW271.32 g/mol
LogP1.25
Rot. Bonds4

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 6870711) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID6870711
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C14H17N5O/c1-18(2)12-6-4-11(5-7-12)10-15-16-14(20)13-8-9-19(3)17-13/h4-10H,1-3H3,(H,16,20)/b15-10+
InChIKeyCOIKWWSLHBVWJM-XNTDXEJSSA-N
XLogP1.25
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.25
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 N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide (CID 6870711) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide is CN(C)c1ccc(/C=N/NC(=O)c2ccn(C)n2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is COIKWWSLHBVWJM-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18(2)12-6-4-11(5-7-12)10-15-16-14(20)13-8-9-19(3)17-13/h4-10H,1-3H3,(H,16,20)/b15-10+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6870711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).