2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile

C14H15N3 — CID 83537191

IUPAC2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile
SMILESCc1ccc(C)c(Cn2nc(C)cc2C#N)c1
InChIInChI=1S/C14H15N3/c1-10-4-5-11(2)13(6-10)9-17-14(8-15)7-12(3)16-17/h4-7H,9H2,1-3H3
InChIKeyNBBAZAWXXMSGJD-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.73
Rot. Bonds2

About 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile

2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile (PubChem CID 83537191) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile
PubChem CID83537191
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile
SMILESCc1ccc(C)c(Cn2nc(C)cc2C#N)c1
InChIInChI=1S/C14H15N3/c1-10-4-5-11(2)13(6-10)9-17-14(8-15)7-12(3)16-17/h4-7H,9H2,1-3H3
InChIKeyNBBAZAWXXMSGJD-UHFFFAOYSA-N
XLogP2.73
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbonitrile
CID 83534213
1-[(2,5-dimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595464
1-[1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 62728566
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 55201201
2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105101126
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306371
1-[(2,5-dimethylphenyl)methyl]indole-3-carbonitrile
CID 82090203
1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)-4-methylpyrazole
CID 19587568
4-bromo-3,5-bis(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole
CID 17025643
4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2662480
(2,5-dimethylphenyl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562950
3-[(2,5-dimethylphenyl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 2662201

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile (CID 83537191) is 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile is Cc1ccc(C)c(Cn2nc(C)cc2C#N)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile?
The InChIKey is NBBAZAWXXMSGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-4-5-11(2)13(6-10)9-17-14(8-15)7-12(3)16-17/h4-7H,9H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile?
2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-5-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 83537191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).