1,3-dimethylpyrazole-4-carbonitrile

C6H7N3 — CID 19620695

IUPAC1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)cc1C#N
InChIInChI=1S/C6H7N3/c1-5-6(3-7)4-9(2)8-5/h4H,1-2H3
InChIKeyXOFOOXWGRXHZKD-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.60
Rot. Bonds

About 1,3-dimethylpyrazole-4-carbonitrile

1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 19620695) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethylpyrazole-4-carbonitrile
PubChem CID19620695
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)cc1C#N
InChIInChI=1S/C6H7N3/c1-5-6(3-7)4-9(2)8-5/h4H,1-2H3
InChIKeyXOFOOXWGRXHZKD-UHFFFAOYSA-N
XLogP0.60
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
CID 6886586
(1,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 818472
4-ethynyl-1,3-dimethyl-1H-pyrazole
CID 12298388
2-(1-methyl-1H-pyrazol-4-yl)acetonitrile
CID 43154732
1-Methyl-1H-pyrazole-3-carbonitrile
CID 12747510
1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9568655
4-chloro-1-methyl-1H-pyrazole-3-carbonitrile
CID 2782163
4-Ethynyl-1,5-dimethyl-1H-pyrazole
CID 12299299
4-Iodo-1-methyl-1H-pyrazole-5-carbonitrile
CID 60136631
4-bromo-1-methyl-1H-pyrazole-5-carbonitrile
CID 759273
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
1-methyl-1H-pyrazole-5-carbonitrile
CID 13464587

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethylpyrazole-4-carbonitrile (CID 19620695) is 1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)cc1C#N.
What is the InChIKey of 1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is XOFOOXWGRXHZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-6(3-7)4-9(2)8-5/h4H,1-2H3.
What are the key properties of 1,3-dimethylpyrazole-4-carbonitrile?
1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 19620695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).