[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C17H20ClN3O2 — CID 111429744

IUPAC[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C17H20ClN3O2/c1-12(22)13-6-8-20(9-7-13)17(23)14-10-19-21(11-14)16-5-3-2-4-15(16)18/h2-5,10-13,22H,6-9H2,1H3
InChIKeyPVKKIXDRYGAGKJ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.76
Rot. Bonds3

About [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 111429744) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID111429744
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C17H20ClN3O2/c1-12(22)13-6-8-20(9-7-13)17(23)14-10-19-21(11-14)16-5-3-2-4-15(16)18/h2-5,10-13,22H,6-9H2,1H3
InChIKeyPVKKIXDRYGAGKJ-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 49193203
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 111430040
1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 75469055
(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(2,4-dichlorophenyl)pyrazol-4-yl]methanone
CID 124690973
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546934
2-[1-[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 119178020
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
(2R)-2-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 98471029
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 111429744) is [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1.
What is the InChIKey of [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is PVKKIXDRYGAGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12(22)13-6-8-20(9-7-13)17(23)14-10-19-21(11-14)16-5-3-2-4-15(16)18/h2-5,10-13,22H,6-9H2,1H3.
What are the key properties of [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 333.82 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 111429744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).