3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide

C21H22N4O2 — CID 2084076

IUPAC3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide
SMILESC=C(CCc1ccccc1)NNC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C21H22N4O2/c1-15(8-9-16-6-4-3-5-7-16)22-25-21(26)20-14-19(23-24-20)17-10-12-18(27-2)13-11-17/h3-7,10-14,22H,1,8-9H2,2H3,(H,23,24)(H,25,26)
InChIKeyYGIGONYAIPVWCT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.47
Rot. Bonds8

About 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide

3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide (PubChem CID 2084076) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide
PubChem CID2084076
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide
SMILESC=C(CCc1ccccc1)NNC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1
InChIInChI=1S/C21H22N4O2/c1-15(8-9-16-6-4-3-5-7-16)22-25-21(26)20-14-19(23-24-20)17-10-12-18(27-2)13-11-17/h3-7,10-14,22H,1,8-9H2,2H3,(H,23,24)(H,25,26)
InChIKeyYGIGONYAIPVWCT-UHFFFAOYSA-N
XLogP3.47
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.47
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-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 20918247
N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803289
N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803284
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
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
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 6889139
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-phenylpyrazole-3-carbohydrazide
CID 78868431
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393
N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78816707

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide (CID 2084076) is 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide is C=C(CCc1ccccc1)NNC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1.
What is the InChIKey of 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is YGIGONYAIPVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(8-9-16-6-4-3-5-7-16)22-25-21(26)20-14-19(23-24-20)17-10-12-18(27-2)13-11-17/h3-7,10-14,22H,1,8-9H2,2H3,(H,23,24)(H,25,26).
What are the key properties of 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide?
3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 362.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 2084076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).