(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C18H23N3O2 — CID 110023082

IUPAC(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(C)O)C2)cnn1Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13-17(18(23)20-9-8-16(12-20)14(2)22)10-19-21(13)11-15-6-4-3-5-7-15/h3-7,10,14,16,22H,8-9,11-12H2,1-2H3
InChIKeyRWUOYTOVDSRPEH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.08
Rot. Bonds4

About (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 110023082) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID110023082
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(C)O)C2)cnn1Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13-17(18(23)20-9-8-16(12-20)14(2)22)10-19-21(13)11-15-6-4-3-5-7-15/h3-7,10,14,16,22H,8-9,11-12H2,1-2H3
InChIKeyRWUOYTOVDSRPEH-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 119596149
(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563358
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118733
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770
(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 75440738
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
benzyl 1-(1-benzyl-5-methylpyrazole-4-carbonyl)azetidine-3-carboxylate
CID 75450681
(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 86991026
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
(4-chloro-6-methyl-3-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624918

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 110023082) is (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCC(C(C)O)C2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RWUOYTOVDSRPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-17(18(23)20-9-8-16(12-20)14(2)22)10-19-21(13)11-15-6-4-3-5-7-15/h3-7,10,14,16,22H,8-9,11-12H2,1-2H3.
What are the key properties of (1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 313.40 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-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110023082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).