3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile

C10H14N4 — CID 105444436

IUPAC3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile
SMILESCc1nn(C2CCNC2)c(C)c1C#N
InChIInChI=1S/C10H14N4/c1-7-10(5-11)8(2)14(13-7)9-3-4-12-6-9/h9,12H,3-4,6H2,1-2H3
InChIKeyZJYYCSFOULSKMV-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.91
Rot. Bonds1

About 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile

3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile (PubChem CID 105444436) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile
PubChem CID105444436
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile
SMILESCc1nn(C2CCNC2)c(C)c1C#N
InChIInChI=1S/C10H14N4/c1-7-10(5-11)8(2)14(13-7)9-3-4-12-6-9/h9,12H,3-4,6H2,1-2H3
InChIKeyZJYYCSFOULSKMV-UHFFFAOYSA-N
XLogP0.91
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile
CID 105456653
3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile
CID 105456652
2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile
CID 105473102
4-(3,4,5-trimethylpyrazol-1-yl)piperidine
CID 61346158
2-[5-methyl-1-[(3R)-pyrrolidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175797205
3-methyl-1-pyrrolidin-3-ylindazol-7-ol
CID 84682925
1-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)cyclopropan-1-amine
CID 105495263
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
CID 63758031
1,3-dimethyl-5-(piperidin-3-ylmethoxy)pyrazole-4-carbonitrile
CID 55241528
6-methyl-2-pyrrolidin-3-ylpyridazin-3-one
CID 82105255
1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole
CID 62784072
3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole
CID 95366500

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile?
The IUPAC name of 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile (CID 105444436) is 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile?
The canonical SMILES for 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile is Cc1nn(C2CCNC2)c(C)c1C#N.
What is the InChIKey of 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile?
The InChIKey is ZJYYCSFOULSKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-10(5-11)8(2)14(13-7)9-3-4-12-6-9/h9,12H,3-4,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile?
3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 105444436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).