2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile

C11H16N4 — CID 105456653

IUPAC2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile
SMILESCc1nn(C2CCNC2)c(C)c1CC#N
InChIInChI=1S/C11H16N4/c1-8-11(3-5-12)9(2)15(14-8)10-4-6-13-7-10/h10,13H,3-4,6-7H2,1-2H3
InChIKeyQIGGTJJLCVDWML-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.10
Rot. Bonds2

About 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile

2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile (PubChem CID 105456653) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile
PubChem CID105456653
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile
SMILESCc1nn(C2CCNC2)c(C)c1CC#N
InChIInChI=1S/C11H16N4/c1-8-11(3-5-12)9(2)15(14-8)10-4-6-13-7-10/h10,13H,3-4,6-7H2,1-2H3
InChIKeyQIGGTJJLCVDWML-UHFFFAOYSA-N
XLogP1.10
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile
CID 105473102
3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile
CID 105444436
4-(3,4,5-trimethylpyrazol-1-yl)piperidine
CID 61346158
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-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 61272512
2-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105438944
6-methyl-2-pyrrolidin-3-ylpyridazin-3-one
CID 82105255
1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole
CID 62784072
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105498185
2-[5-methyl-1-[(3R)-pyrrolidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175797205

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile (CID 105456653) is 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile is Cc1nn(C2CCNC2)c(C)c1CC#N.
What is the InChIKey of 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile?
The InChIKey is QIGGTJJLCVDWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-11(3-5-12)9(2)15(14-8)10-4-6-13-7-10/h10,13H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile?
2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 105456653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).