5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide

C17H18N4O2 — CID 137175238

IUPAC5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide
SMILES[H]/N=C(\N)N1N=C(c2ccc(O)c(OC)c2)CC1c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-23-16-9-12(7-8-15(16)22)13-10-14(21(20-13)17(18)19)11-5-3-2-4-6-11/h2-9,14,22H,10H2,1H3,(H3,18,19)
InChIKeyXOQCOKONYBENGO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.45
Rot. Bonds3

About 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide

5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 137175238) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID137175238
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide
SMILES[H]/N=C(\N)N1N=C(c2ccc(O)c(OC)c2)CC1c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-23-16-9-12(7-8-15(16)22)13-10-14(21(20-13)17(18)19)11-5-3-2-4-6-11/h2-9,14,22H,10H2,1H3,(H3,18,19)
InChIKeyXOQCOKONYBENGO-UHFFFAOYSA-N
XLogP2.45
TPSA94.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxy-3-methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3149917
4-{[(E)-3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino]-methyl}-2-methoxy-phenol
CID 135470813
2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 137174990
2-methoxy-4-{(1Z)-N-[4-(4-methylbenzyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426045
Ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 137175235
2-(3,5-Diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 2925826
Methyl 3-(3-hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 141733359
5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2953298
Cambridge id 6612972
CID 3417197
1-[5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 53323627
1-[3-(4-hydroxy-3-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 136270607
5-(4-Hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 137175237

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide (CID 137175238) is 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide is [H]/N=C(\N)N1N=C(c2ccc(O)c(OC)c2)CC1c1ccccc1.
What is the InChIKey of 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is XOQCOKONYBENGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-16-9-12(7-8-15(16)22)13-10-14(21(20-13)17(18)19)11-5-3-2-4-6-11/h2-9,14,22H,10H2,1H3,(H3,18,19).
What are the key properties of 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide?
5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 310.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 137175238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).