[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

C16H19N3O2 — CID 110022944

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCC(O)C1CCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C16H19N3O2/c1-12(20)13-7-10-18(11-13)16(21)14-5-2-3-6-15(14)19-9-4-8-17-19/h2-6,8-9,12-13,20H,7,10-11H2,1H3
InChIKeyZIRQXKJWWOUIQW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds3

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 110022944) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
PubChem CID110022944
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCC(O)C1CCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C16H19N3O2/c1-12(20)13-7-10-18(11-13)16(21)14-5-2-3-6-15(14)19-9-4-8-17-19/h2-6,8-9,12-13,20H,7,10-11H2,1H3
InChIKeyZIRQXKJWWOUIQW-UHFFFAOYSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 110023360
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
CID 115966148
[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 71847443
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
CID 87018917
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
CID 115966194
(3-ethyl-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023914
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 110023701
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873
(2-chloro-3-fluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627294

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (CID 110022944) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is CC(O)C1CCN(C(=O)c2ccccc2-n2cccn2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is ZIRQXKJWWOUIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(20)13-7-10-18(11-13)16(21)14-5-2-3-6-15(14)19-9-4-8-17-19/h2-6,8-9,12-13,20H,7,10-11H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 110022944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).