2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol

C16H22N4O — CID 110256928

IUPAC2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol
SMILESCn1nc(C2CCN(Cc3cccnc3)C2)cc1CCO
InChIInChI=1S/C16H22N4O/c1-19-15(5-8-21)9-16(18-19)14-4-7-20(12-14)11-13-3-2-6-17-10-13/h2-3,6,9-10,14,21H,4-5,7-8,11-12H2,1H3
InChIKeyVEVDQBVREKURAE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.34
Rot. Bonds5

About 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol

2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol (PubChem CID 110256928) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol
PubChem CID110256928
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol
SMILESCn1nc(C2CCN(Cc3cccnc3)C2)cc1CCO
InChIInChI=1S/C16H22N4O/c1-19-15(5-8-21)9-16(18-19)14-4-7-20(12-14)11-13-3-2-6-17-10-13/h2-3,6,9-10,14,21H,4-5,7-8,11-12H2,1H3
InChIKeyVEVDQBVREKURAE-UHFFFAOYSA-N
XLogP1.34
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95824177
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110091482
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
CID 124972613
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
5-ethylsulfonyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
CID 75132020
2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 115647965
(6R)-1-methylsulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-6-carboxylic acid
CID 98229184
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol?
The IUPAC name of 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol (CID 110256928) is 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol is Cn1nc(C2CCN(Cc3cccnc3)C2)cc1CCO.
What is the InChIKey of 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol?
The InChIKey is VEVDQBVREKURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-15(5-8-21)9-16(18-19)14-4-7-20(12-14)11-13-3-2-6-17-10-13/h2-3,6,9-10,14,21H,4-5,7-8,11-12H2,1H3.
What are the key properties of 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol?
2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol has a molecular weight of 286.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol is sourced from PubChem (CID 110256928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).