2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

C12H21N3O — CID 115883006

IUPAC2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCCn1cc(CN2CCC(CCO)C2)cn1
InChIInChI=1S/C12H21N3O/c1-2-15-10-12(7-13-15)9-14-5-3-11(8-14)4-6-16/h7,10-11,16H,2-6,8-9H2,1H3
InChIKeyWDRRXONGRLUYNL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.11
Rot. Bonds5

About 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115883006) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115883006
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCCn1cc(CN2CCC(CCO)C2)cn1
InChIInChI=1S/C12H21N3O/c1-2-15-10-12(7-13-15)9-14-5-3-11(8-14)4-6-16/h7,10-11,16H,2-6,8-9H2,1H3
InChIKeyWDRRXONGRLUYNL-UHFFFAOYSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648302
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813
2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45198634
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
CID 26317491
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
CID 95111652
2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830712
2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 115300045
1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124978097

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115883006) is 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is CCn1cc(CN2CCC(CCO)C2)cn1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is WDRRXONGRLUYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-10-12(7-13-15)9-14-5-3-11(8-14)4-6-16/h7,10-11,16H,2-6,8-9H2,1H3.
What are the key properties of 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115883006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).