3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole

C9H15N3 — CID 96633250

IUPAC3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
SMILESCc1n[nH]c(C)c1[C@H]1CCCN1
InChIInChI=1S/C9H15N3/c1-6-9(7(2)12-11-6)8-4-3-5-10-8/h8,10H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyJFSZUEYFPBWDIE-MRVPVSSYSA-N
MW165.24 g/mol
LogP1.45
Rot. Bonds1

About 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole

3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole (PubChem CID 96633250) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
PubChem CID96633250
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
SMILESCc1n[nH]c(C)c1[C@H]1CCCN1
InChIInChI=1S/C9H15N3/c1-6-9(7(2)12-11-6)8-4-3-5-10-8/h8,10H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyJFSZUEYFPBWDIE-MRVPVSSYSA-N
XLogP1.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
1-ethyl-3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 99978633
5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 95970426
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
CID 115069923
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine
CID 84710165
3-propan-2-yl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61336970
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681127
5-ethoxycarbonyl-4-[(2S)-pyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 53468888
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole (CID 96633250) is 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole is Cc1n[nH]c(C)c1[C@H]1CCCN1.
What is the InChIKey of 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole?
The InChIKey is JFSZUEYFPBWDIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-9(7(2)12-11-6)8-4-3-5-10-8/h8,10H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole?
3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole has a molecular weight of 165.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole is sourced from PubChem (CID 96633250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).