4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole

C9H15N3 — CID 95566830

IUPAC4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
SMILESC[C@@H]1CC[C@H](C)N1c1cn[nH]c1
InChIInChI=1S/C9H15N3/c1-7-3-4-8(2)12(7)9-5-10-11-6-9/h5-8H,3-4H2,1-2H3,(H,10,11)/t7-,8+
InChIKeyQAQCEUFOWQHWMY-OCAPTIKFSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds1

About 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole

4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole (PubChem CID 95566830) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
PubChem CID95566830
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
SMILESC[C@@H]1CC[C@H](C)N1c1cn[nH]c1
InChIInChI=1S/C9H15N3/c1-7-3-4-8(2)12(7)9-5-10-11-6-9/h5-8H,3-4H2,1-2H3,(H,10,11)/t7-,8+
InChIKeyQAQCEUFOWQHWMY-OCAPTIKFSA-N
XLogP1.79
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
CID 131154051
3-methyl-1-(1H-pyrazol-4-yl)piperidine
CID 131085917
(2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
CID 96605914
(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 175834567
4-(2,5-dimethylpyrrolidin-1-yl)pyridine
CID 57275656
methoxy-methyl-(1H-pyrazol-4-yl)borane
CID 123962893
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
5-ethyl-2-(1H-pyrazol-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513084
6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 82402977
methyl-[4-(1H-pyrazol-4-yl)piperazin-1-yl]borinic acid
CID 153412321
N'-(1H-pyrazol-4-ylmethyl)cyclopropanecarboximidamide
CID 63177899
7-methyl-3-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 167790808

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole?
The IUPAC name of 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole (CID 95566830) is 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole.
What is the SMILES notation for 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole?
The canonical SMILES for 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole is C[C@@H]1CC[C@H](C)N1c1cn[nH]c1.
What is the InChIKey of 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole?
The InChIKey is QAQCEUFOWQHWMY-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-3-4-8(2)12(7)9-5-10-11-6-9/h5-8H,3-4H2,1-2H3,(H,10,11)/t7-,8+.
What are the key properties of 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole?
4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole has a molecular weight of 165.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole is sourced from PubChem (CID 95566830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).