3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C24H20N4O2 — CID 6006995

IUPAC3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1
InChIInChI=1S/C24H20N4O2/c1-30-18-6-2-4-15(12-18)14-25-28-24(29)22-13-21(26-27-22)19-11-10-17-9-8-16-5-3-7-20(19)23(16)17/h2-7,10-14H,8-9H2,1H3,(H,26,27)(H,28,29)/b25-14-
InChIKeyIDUVMVUIXYCSBU-QFEZKATASA-N
MW396.45 g/mol
LogP4.10
Rot. Bonds5

About 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6006995) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6006995
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1
InChIInChI=1S/C24H20N4O2/c1-30-18-6-2-4-15(12-18)14-25-28-24(29)22-13-21(26-27-22)19-11-10-17-9-8-16-5-3-7-20(19)23(16)17/h2-7,10-14H,8-9H2,1H3,(H,26,27)(H,28,29)/b25-14-
InChIKeyIDUVMVUIXYCSBU-QFEZKATASA-N
XLogP4.10
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[(Z)-benzylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6023521
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3640086
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6079590
3-(2,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2047421
3-(1,2-dihydroacenaphthylen-5-yl)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-1H-pyrazole-5-carboxamide
CID 5098672
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 6863255
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 3640085
3-(4-ethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5393009
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6146813
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6074224
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6010292
3-(1,2-dihydroacenaphthylen-5-yl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4638228

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 6006995) is 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1cccc(/C=N\NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1.
What is the InChIKey of 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is IDUVMVUIXYCSBU-QFEZKATASA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-18-6-2-4-15(12-18)14-25-28-24(29)22-13-21(26-27-22)19-11-10-17-9-8-16-5-3-7-20(19)23(16)17/h2-7,10-14H,8-9H2,1H3,(H,26,27)(H,28,29)/b25-14-.
What are the key properties of 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6006995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).