(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone

C18H22ClN3O2 — CID 56807408

IUPAC(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCc1nn(C)c(Cl)c1C(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-13-16(17(19)21(2)20-13)18(23)22-10-8-15(9-11-22)24-12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3
InChIKeyOODQZNISVXNJOU-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.20
Rot. Bonds4

About (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone

(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 56807408) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID56807408
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCc1nn(C)c(Cl)c1C(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-13-16(17(19)21(2)20-13)18(23)22-10-8-15(9-11-22)24-12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3
InChIKeyOODQZNISVXNJOU-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 70752342
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 24610345
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 56810648
(5-chloro-1,3-dimethylpyrazol-4-yl)-[(4S)-4-methylazepan-1-yl]methanone
CID 95591224
(3S)-1-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124697274
[4-(2-chloroethoxy)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 82701236
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 78829190
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone
CID 51308885
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone (CID 56807408) is (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone is Cc1nn(C)c(Cl)c1C(=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is OODQZNISVXNJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13-16(17(19)21(2)20-13)18(23)22-10-8-15(9-11-22)24-12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3.
What are the key properties of (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone?
(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 347.85 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 56807408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).