4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine

C16H20ClN3O — CID 166090482

IUPAC4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
SMILESCc1cc(Cc2nn(O)cc2C2CCNCC2)ccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-11-8-12(2-3-15(11)17)9-16-14(10-20(21)19-16)13-4-6-18-7-5-13/h2-3,8,10,13,18,21H,4-7,9H2,1H3
InChIKeyMIFCROFZMCXRIS-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.14
Rot. Bonds3

About 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine

4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine (PubChem CID 166090482) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
PubChem CID166090482
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
SMILESCc1cc(Cc2nn(O)cc2C2CCNCC2)ccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-11-8-12(2-3-15(11)17)9-16-14(10-20(21)19-16)13-4-6-18-7-5-13/h2-3,8,10,13,18,21H,4-7,9H2,1H3
InChIKeyMIFCROFZMCXRIS-UHFFFAOYSA-N
XLogP3.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090460
4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 177245975
4-(3-benzyl-1-hydroxypyrazol-4-yl)piperidine
CID 46204538
4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090519
(3S,4S)-4-[(4-chloro-3-methylphenyl)methyl]-3-(fluoromethyl)piperidine
CID 143089184
4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
3-chloro-6-piperidin-4-ylbenzene-1,2-diol
CID 117327816
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The IUPAC name of 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine (CID 166090482) is 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The canonical SMILES for 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine is Cc1cc(Cc2nn(O)cc2C2CCNCC2)ccc1Cl.
What is the InChIKey of 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The InChIKey is MIFCROFZMCXRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-8-12(2-3-15(11)17)9-16-14(10-20(21)19-16)13-4-6-18-7-5-13/h2-3,8,10,13,18,21H,4-7,9H2,1H3.
What are the key properties of 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine has a molecular weight of 305.81 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine is sourced from PubChem (CID 166090482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).