2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

C18H17N3O2 — CID 3149917

IUPAC2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESCOc1cc(C(C#N)N2CCC(c3ccccc3)=N2)ccc1O
InChIInChI=1S/C18H17N3O2/c1-23-18-11-14(7-8-17(18)22)16(12-19)21-10-9-15(20-21)13-5-3-2-4-6-13/h2-8,11,16,22H,9-10H2,1H3
InChIKeyHASQYFODBQDAGX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.08
Rot. Bonds4

About 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (PubChem CID 3149917) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
PubChem CID3149917
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESCOc1cc(C(C#N)N2CCC(c3ccccc3)=N2)ccc1O
InChIInChI=1S/C18H17N3O2/c1-23-18-11-14(7-8-17(18)22)16(12-19)21-10-9-15(20-21)13-5-3-2-4-6-13/h2-8,11,16,22H,9-10H2,1H3
InChIKeyHASQYFODBQDAGX-UHFFFAOYSA-N
XLogP3.08
TPSA68.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methoxyphenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589636
(4-Methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589746
1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11580635
1-(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2954513
(3,4-Dimethoxyphenyl)(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 600721
(4-Hydroxy-3-methoxyphenyl)(4-morpholinyl)acetonitrile
CID 652654
2-(4-Hydroxy-3-methoxyphenyl)-2-piperidylethanenitrile
CID 2878002
(3,4-dimethoxyphenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3149919
(4-methoxyphenyl)[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]acetonitrile
CID 4235926
2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 137174990
Methyl 5-(3-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733361
2-methoxy-4-{(1Z)-N-[4-(4-methylbenzyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426045

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (CID 3149917) is 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is COc1cc(C(C#N)N2CCC(c3ccccc3)=N2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The InChIKey is HASQYFODBQDAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-18-11-14(7-8-17(18)22)16(12-19)21-10-9-15(20-21)13-5-3-2-4-6-13/h2-8,11,16,22H,9-10H2,1H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile has a molecular weight of 307.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is sourced from PubChem (CID 3149917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).