4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine

C15H18ClN3O — CID 163407517

IUPAC4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine
SMILESClc1cccc(COc2cnn(C3CCNCC3)c2)c1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-2-12(8-13)11-20-15-9-18-19(10-15)14-4-6-17-7-5-14/h1-3,8-10,14,17H,4-7,11H2
InChIKeySYOXRWQIVRVKQX-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.04
Rot. Bonds4

About 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine

4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine (PubChem CID 163407517) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine
PubChem CID163407517
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine
SMILESClc1cccc(COc2cnn(C3CCNCC3)c2)c1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-2-12(8-13)11-20-15-9-18-19(10-15)14-4-6-17-7-5-14/h1-3,8-10,14,17H,4-7,11H2
InChIKeySYOXRWQIVRVKQX-UHFFFAOYSA-N
XLogP3.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride
CID 163407511
1-cyclopentyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234033
1-cyclohexyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234039
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 150865455
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride
CID 68984463
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 175975741
1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
CID 117234055

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine?
The IUPAC name of 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine (CID 163407517) is 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine is Clc1cccc(COc2cnn(C3CCNCC3)c2)c1.
What is the InChIKey of 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine?
The InChIKey is SYOXRWQIVRVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-3-1-2-12(8-13)11-20-15-9-18-19(10-15)14-4-6-17-7-5-14/h1-3,8-10,14,17H,4-7,11H2.
What are the key properties of 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine?
4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine has a molecular weight of 291.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine is sourced from PubChem (CID 163407517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).