3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide

C18H18N4O4 — CID 2047284

IUPAC3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1)c1ccco1
InChIInChI=1S/C18H18N4O4/c1-11(16-5-4-8-26-16)19-22-18(23)15-10-14(20-21-15)13-9-12(24-2)6-7-17(13)25-3/h4-10,19H,1H2,2-3H3,(H,20,21)(H,22,23)
InChIKeyWOGHNRVHMOGTHO-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.59
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide

3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide (PubChem CID 2047284) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide
PubChem CID2047284
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1)c1ccco1
InChIInChI=1S/C18H18N4O4/c1-11(16-5-4-8-26-16)19-22-18(23)15-10-14(20-21-15)13-9-12(24-2)6-7-17(13)25-3/h4-10,19H,1H2,2-3H3,(H,20,21)(H,22,23)
InChIKeyWOGHNRVHMOGTHO-UHFFFAOYSA-N
XLogP2.59
TPSA101.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817235
N-[4-(3-bromophenoxy)but-2-ynyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90576392
3-(2,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2047421
N'-[1-(4-aminophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2269985
3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124862464
3-(2,5-dimethoxyphenyl)-N-(1-hydroxy-3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 91822295
3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46964164
3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 4652301
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
3-(2,5-dimethoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 121148931
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-(1,2-dihydroacenaphthylen-5-yl)-N'-[1-(4-methoxyphenyl)ethenyl]-1H-pyrazole-5-carbohydrazide
CID 4649648

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide (CID 2047284) is 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide is C=C(NNC(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1)c1ccco1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide?
The InChIKey is WOGHNRVHMOGTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11(16-5-4-8-26-16)19-22-18(23)15-10-14(20-21-15)13-9-12(24-2)6-7-17(13)25-3/h4-10,19H,1H2,2-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide?
3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide has a molecular weight of 354.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N'-[1-(furan-2-yl)ethenyl]-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 2047284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).