2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile

C14H15N3O — CID 82084697

IUPAC2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
SMILESCOc1ccc(C)cc1-n1nc(CC#N)cc1C
InChIInChI=1S/C14H15N3O/c1-10-4-5-14(18-3)13(8-10)17-11(2)9-12(16-17)6-7-15/h4-5,8-9H,6H2,1-3H3
InChIKeyNULXVKFUCRJWKF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.56
Rot. Bonds3

About 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile

2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile (PubChem CID 82084697) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
PubChem CID82084697
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
SMILESCOc1ccc(C)cc1-n1nc(CC#N)cc1C
InChIInChI=1S/C14H15N3O/c1-10-4-5-14(18-3)13(8-10)17-11(2)9-12(16-17)6-7-15/h4-5,8-9H,6H2,1-3H3
InChIKeyNULXVKFUCRJWKF-UHFFFAOYSA-N
XLogP2.56
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile
CID 82420730
2-[1-(2-ethylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82080830
2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82078555
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
3-(bromomethyl)-1-(2-methoxy-5-methylphenyl)pyrazole
CID 84617523
1-[1-(2-methoxy-5-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760375
[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 82285789
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
1-(2-methoxy-5-methylphenyl)-5-propan-2-yltriazole-4-carbonitrile
CID 82200655

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile (CID 82084697) is 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile is COc1ccc(C)cc1-n1nc(CC#N)cc1C.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile?
The InChIKey is NULXVKFUCRJWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-4-5-14(18-3)13(8-10)17-11(2)9-12(16-17)6-7-15/h4-5,8-9H,6H2,1-3H3.
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile?
2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile is sourced from PubChem (CID 82084697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).