3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole

C12H21N3 — CID 102819892

IUPAC3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
SMILESCCc1cc(CC)n(C[C@H]2CCCN2)n1
InChIInChI=1S/C12H21N3/c1-3-10-8-12(4-2)15(14-10)9-11-6-5-7-13-11/h8,11,13H,3-7,9H2,1-2H3/t11-/m1/s1
InChIKeyWRNRCFOZOTUMKQ-LLVKDONJSA-N
MW207.32 g/mol
LogP1.76
Rot. Bonds4

About 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole

3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole (PubChem CID 102819892) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
PubChem CID102819892
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
SMILESCCc1cc(CC)n(C[C@H]2CCCN2)n1
InChIInChI=1S/C12H21N3/c1-3-10-8-12(4-2)15(14-10)9-11-6-5-7-13-11/h8,11,13H,3-7,9H2,1-2H3/t11-/m1/s1
InChIKeyWRNRCFOZOTUMKQ-LLVKDONJSA-N
XLogP1.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
CID 82694533
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
CID 112745787
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole
CID 84793009
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
2-[(4-ethyltriazol-1-yl)methyl]piperidine
CID 115019973
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
CID 102901064
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine
CID 84722956
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
3,5-diethyl-1-propylpyrazole
CID 82699697
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
CID 106779970

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole?
The IUPAC name of 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole (CID 102819892) is 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole.
What is the SMILES notation for 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole?
The canonical SMILES for 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole is CCc1cc(CC)n(C[C@H]2CCCN2)n1.
What is the InChIKey of 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole?
The InChIKey is WRNRCFOZOTUMKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-10-8-12(4-2)15(14-10)9-11-6-5-7-13-11/h8,11,13H,3-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole?
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole has a molecular weight of 207.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole is sourced from PubChem (CID 102819892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).