3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide

C25H22N4O2 — CID 4649648

IUPAC3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(OC)cc1
InChIInChI=1S/C25H22N4O2/c1-15(16-8-11-19(31-2)12-9-16)26-29-25(30)23-14-22(27-28-23)20-13-10-18-7-6-17-4-3-5-21(20)24(17)18/h3-5,8-14,26H,1,6-7H2,2H3,(H,27,28)(H,29,30)
InChIKeyQAQHSKJDOYABRU-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.24
Rot. Bonds6

About 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide

3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide (PubChem CID 4649648) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide
PubChem CID4649648
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(OC)cc1
InChIInChI=1S/C25H22N4O2/c1-15(16-8-11-19(31-2)12-9-16)26-29-25(30)23-14-22(27-28-23)20-13-10-18-7-6-17-4-3-5-21(20)24(17)18/h3-5,8-14,26H,1,6-7H2,2H3,(H,27,28)(H,29,30)
InChIKeyQAQHSKJDOYABRU-UHFFFAOYSA-N
XLogP4.24
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6006995
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3640086
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
N'-[1-(4-aminophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2269985
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
3-(1,2-dihydroacenaphthylen-5-yl)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-1H-pyrazole-5-carboxamide
CID 5098672
N-[(Z)-benzylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6023521
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6262458
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6079590
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6146813

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide (CID 4649648) is 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide is C=C(NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(OC)cc1.
What is the InChIKey of 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide?
The InChIKey is QAQHSKJDOYABRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-15(16-8-11-19(31-2)12-9-16)26-29-25(30)23-14-22(27-28-23)20-13-10-18-7-6-17-4-3-5-21(20)24(17)18/h3-5,8-14,26H,1,6-7H2,2H3,(H,27,28)(H,29,30).
What are the key properties of 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide?
3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide has a molecular weight of 410.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 4649648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).