4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide

C18H15ClN4O — CID 5411858

IUPAC4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)N/N=C\c2ccc3c4c(cccc24)CC3)n1
InChIInChI=1S/C18H15ClN4O/c1-23-10-15(19)17(22-23)18(24)21-20-9-13-8-7-12-6-5-11-3-2-4-14(13)16(11)12/h2-4,7-10H,5-6H2,1H3,(H,21,24)/b20-9-
InChIKeyGEYQJEDTCQZFOG-UKWGHVSLSA-N
MW338.80 g/mol
LogP3.09
Rot. Bonds3

About 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide

4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 5411858) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID5411858
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)N/N=C\c2ccc3c4c(cccc24)CC3)n1
InChIInChI=1S/C18H15ClN4O/c1-23-10-15(19)17(22-23)18(24)21-20-9-13-8-7-12-6-5-11-3-2-4-14(13)16(11)12/h2-4,7-10H,5-6H2,1H3,(H,21,24)/b20-9-
InChIKeyGEYQJEDTCQZFOG-UKWGHVSLSA-N
XLogP3.09
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135804473
2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide
CID 6871697
4-[(4-chlorophenyl)methoxy]-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]benzamide
CID 171981441
4-chloro-N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 6542114
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 6885012
4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide
CID 6241998
N-(1H-indol-3-ylmethylideneamino)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5125087
4-bromo-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1028419
4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5454090
4-bromo-N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1275458
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 136697524
(4-chloro-1-methylpyrazol-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 728261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide (CID 5411858) is 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)N/N=C\c2ccc3c4c(cccc24)CC3)n1.
What is the InChIKey of 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is GEYQJEDTCQZFOG-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-23-10-15(19)17(22-23)18(24)21-20-9-13-8-7-12-6-5-11-3-2-4-14(13)16(11)12/h2-4,7-10H,5-6H2,1H3,(H,21,24)/b20-9-.
What are the key properties of 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide?
4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 5411858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).