1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol

C16H21N3O — CID 115966906

IUPAC1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H21N3O/c1-13(20)14-7-9-18(11-14)12-15-8-10-19(17-15)16-5-3-2-4-6-16/h2-6,8,10,13-14,20H,7,9,11-12H2,1H3
InChIKeyDFQUEJPNLJJMOS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.08
Rot. Bonds4

About 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115966906) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115966906
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H21N3O/c1-13(20)14-7-9-18(11-14)12-15-8-10-19(17-15)16-5-3-2-4-6-16/h2-6,8,10,13-14,20H,7,9,11-12H2,1H3
InChIKeyDFQUEJPNLJJMOS-UHFFFAOYSA-N
XLogP2.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922019
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
(1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 124841986
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole
CID 138025120
6-[(1-phenylpyrazol-3-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 71926440
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966903

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115966906) is 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2ccn(-c3ccccc3)n2)C1.
What is the InChIKey of 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is DFQUEJPNLJJMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(20)14-7-9-18(11-14)12-15-8-10-19(17-15)16-5-3-2-4-6-16/h2-6,8,10,13-14,20H,7,9,11-12H2,1H3.
What are the key properties of 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115966906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).