[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone

C17H21N3O2 — CID 110023360

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C17H21N3O2/c1-12-16(11-20(18-12)15-6-4-3-5-7-15)17(22)19-9-8-14(10-19)13(2)21/h3-7,11,13-14,21H,8-10H2,1-2H3
InChIKeyWMEPNVUELWWSGE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.02
Rot. Bonds3

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 110023360) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID110023360
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C17H21N3O2/c1-12-16(11-20(18-12)15-6-4-3-5-7-15)17(22)19-9-8-14(10-19)13(2)21/h3-7,11,13-14,21H,8-10H2,1-2H3
InChIKeyWMEPNVUELWWSGE-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 46377822
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880090
N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 46377825
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 110022944
[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560888
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119623914
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone
CID 119411305
1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168408

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone (CID 110023360) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone is Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is WMEPNVUELWWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-16(11-20(18-12)15-6-4-3-5-7-15)17(22)19-9-8-14(10-19)13(2)21/h3-7,11,13-14,21H,8-10H2,1-2H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.02, 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]-(3-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 110023360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).