[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone

C19H25N3O3 — CID 110907856

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2CCCCC2CCO)n1
InChIInChI=1S/C19H25N3O3/c1-14-6-7-18(25-2)17(13-14)22-11-8-16(20-22)19(24)21-10-4-3-5-15(21)9-12-23/h6-8,11,13,15,23H,3-5,9-10,12H2,1-2H3
InChIKeyDVFJPEJWQLZHQX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.57
Rot. Bonds5

About [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone (PubChem CID 110907856) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
PubChem CID110907856
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2CCCCC2CCO)n1
InChIInChI=1S/C19H25N3O3/c1-14-6-7-18(25-2)17(13-14)22-11-8-16(20-22)19(24)21-10-4-3-5-15(21)9-12-23/h6-8,11,13,15,23H,3-5,9-10,12H2,1-2H3
InChIKeyDVFJPEJWQLZHQX-UHFFFAOYSA-N
XLogP2.57
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119435117
(4aS,8aR)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 96541300
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543502
(2,3-dimethylpiperazin-1-yl)-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 120572934
(3S)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133250
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 124589349
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 75448752
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995601

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone (CID 110907856) is [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone is COc1ccc(C)cc1-n1ccc(C(=O)N2CCCCC2CCO)n1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The InChIKey is DVFJPEJWQLZHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-6-7-18(25-2)17(13-14)22-11-8-16(20-22)19(24)21-10-4-3-5-15(21)9-12-23/h6-8,11,13,15,23H,3-5,9-10,12H2,1-2H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 110907856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).