[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone

C18H22ClN3O2 — CID 126767010

IUPAC[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)CC1
InChIInChI=1S/C18H22ClN3O2/c1-13-11-22(16-6-4-3-5-15(16)19)20-17(13)18(23)21-9-7-14(8-10-21)12-24-2/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyWAECMXNZVUEKDT-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.33
Rot. Bonds4

About [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone

[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 126767010) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID126767010
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)CC1
InChIInChI=1S/C18H22ClN3O2/c1-13-11-22(16-6-4-3-5-15(16)19)20-17(13)18(23)21-9-7-14(8-10-21)12-24-2/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyWAECMXNZVUEKDT-UHFFFAOYSA-N
XLogP3.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 126792461
[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
CID 126770991
1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 99608516
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid
CID 120519872
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 120521274
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63972261
(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 113268061
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82131774

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 126767010) is [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)CC1.
What is the InChIKey of [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is WAECMXNZVUEKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13-11-22(16-6-4-3-5-15(16)19)20-17(13)18(23)21-9-7-14(8-10-21)12-24-2/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 347.85 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126767010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).