2-(3-methoxyphenyl)pyrazole-3-carbonitrile

C11H9N3O — CID 105452002

IUPAC2-(3-methoxyphenyl)pyrazole-3-carbonitrile
SMILESCOc1cccc(-n2nccc2C#N)c1
InChIInChI=1S/C11H9N3O/c1-15-11-4-2-3-9(7-11)14-10(8-12)5-6-13-14/h2-7H,1H3
InChIKeyLBUONWCIYVZHAL-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.75
Rot. Bonds2

About 2-(3-methoxyphenyl)pyrazole-3-carbonitrile

2-(3-methoxyphenyl)pyrazole-3-carbonitrile (PubChem CID 105452002) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxyphenyl)pyrazole-3-carbonitrile
PubChem CID105452002
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-(3-methoxyphenyl)pyrazole-3-carbonitrile
SMILESCOc1cccc(-n2nccc2C#N)c1
InChIInChI=1S/C11H9N3O/c1-15-11-4-2-3-9(7-11)14-10(8-12)5-6-13-14/h2-7H,1H3
InChIKeyLBUONWCIYVZHAL-UHFFFAOYSA-N
XLogP1.75
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(3-methoxyphenyl)pyrazole
CID 112693887
5-methoxy-2-[2-(3-methoxyphenyl)pyrazol-3-yl]phenol
CID 135520262
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
CID 82220284
5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796870
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
CID 94962126
5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
CID 114798809
2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725514
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 20888478
5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
CID 135425181

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 2-(3-methoxyphenyl)pyrazole-3-carbonitrile (CID 105452002) is 2-(3-methoxyphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(3-methoxyphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 2-(3-methoxyphenyl)pyrazole-3-carbonitrile is COc1cccc(-n2nccc2C#N)c1.
What is the InChIKey of 2-(3-methoxyphenyl)pyrazole-3-carbonitrile?
The InChIKey is LBUONWCIYVZHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-15-11-4-2-3-9(7-11)14-10(8-12)5-6-13-14/h2-7H,1H3.
What are the key properties of 2-(3-methoxyphenyl)pyrazole-3-carbonitrile?
2-(3-methoxyphenyl)pyrazole-3-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 105452002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).