1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile

C10H8N4 — CID 130500204

IUPAC1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile
SMILESCc1cccnc1-n1cc(C#N)cn1
InChIInChI=1S/C10H8N4/c1-8-3-2-4-12-10(8)14-7-9(5-11)6-13-14/h2-4,6-7H,1H3
InChIKeyPUFJODRMCNBALZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.45
Rot. Bonds1

About 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile

1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile (PubChem CID 130500204) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile
PubChem CID130500204
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile
SMILESCc1cccnc1-n1cc(C#N)cn1
InChIInChI=1S/C10H8N4/c1-8-3-2-4-12-10(8)14-7-9(5-11)6-13-14/h2-4,6-7H,1H3
InChIKeyPUFJODRMCNBALZ-UHFFFAOYSA-N
XLogP1.45
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methanamine
CID 82504471
1-(1,10-phenanthrolin-2-yl)pyrazole-4-carbonitrile
CID 70653467
2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile
CID 61035009
1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 82284363
1-(2-aminophenyl)pyrazole-4-carbonitrile
CID 84769361
1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile
CID 67451931
1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900886
3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
CID 45093444
[2-(4-methylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 60871926
1-(3-chloro-2-pyridinyl)pyrazol-4-amine
CID 61175251
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid
CID 84783334

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile (CID 130500204) is 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile is Cc1cccnc1-n1cc(C#N)cn1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile?
The InChIKey is PUFJODRMCNBALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-8-3-2-4-12-10(8)14-7-9(5-11)6-13-14/h2-4,6-7H,1H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile?
1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 130500204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).