4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide

C17H22ClN5O — CID 6156011

IUPAC4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)cc1
InChIInChI=1S/C17H22ClN5O/c1-5-23(6-2)14-9-7-13(8-10-14)11-19-20-17(24)16-15(18)12(3)21-22(16)4/h7-11H,5-6H2,1-4H3,(H,20,24)/b19-11+
InChIKeyQVRHBIWEJSNASF-YBFXNURJSA-N
MW347.85 g/mol
LogP2.99
Rot. Bonds6

About 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 6156011) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID6156011
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)cc1
InChIInChI=1S/C17H22ClN5O/c1-5-23(6-2)14-9-7-13(8-10-14)11-19-20-17(24)16-15(18)12(3)21-22(16)4/h7-11H,5-6H2,1-4H3,(H,20,24)/b19-11+
InChIKeyQVRHBIWEJSNASF-YBFXNURJSA-N
XLogP2.99
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.99
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'}

Analyze 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide (CID 6156011) is 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is QVRHBIWEJSNASF-YBFXNURJSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-5-23(6-2)14-9-7-13(8-10-14)11-19-20-17(24)16-15(18)12(3)21-22(16)4/h7-11H,5-6H2,1-4H3,(H,20,24)/b19-11+.
What are the key properties of 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 6156011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).