3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile

C11H16N4 — CID 105456652

IUPAC3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile
SMILESCc1nn(C2CCN(C)C2)c(C)c1C#N
InChIInChI=1S/C11H16N4/c1-8-11(6-12)9(2)15(13-8)10-4-5-14(3)7-10/h10H,4-5,7H2,1-3H3
InChIKeySFMWHSDLUZLYCU-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.25
Rot. Bonds1

About 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile

3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile (PubChem CID 105456652) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile
PubChem CID105456652
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile
SMILESCc1nn(C2CCN(C)C2)c(C)c1C#N
InChIInChI=1S/C11H16N4/c1-8-11(6-12)9(2)15(13-8)10-4-5-14(3)7-10/h10H,4-5,7H2,1-3H3
InChIKeySFMWHSDLUZLYCU-UHFFFAOYSA-N
XLogP1.25
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile
CID 105444436
4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine
CID 62975269
1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone
CID 105496744
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)methylamino]pyrazole-4-carbonitrile
CID 63757336
4-iodo-5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 90382918
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757160
2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine
CID 105498199
3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid
CID 105462921
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine
CID 62977491
5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65249409
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756463
5-cyclopentylsulfanyl-1,3-dimethylpyrazole-4-carbonitrile
CID 63753031

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile?
The IUPAC name of 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile (CID 105456652) is 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile is Cc1nn(C2CCN(C)C2)c(C)c1C#N.
What is the InChIKey of 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile?
The InChIKey is SFMWHSDLUZLYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-11(6-12)9(2)15(13-8)10-4-5-14(3)7-10/h10H,4-5,7H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile?
3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 105456652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).