4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol

C16H21N3O — CID 115053624

IUPAC4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
SMILESCn1ncc(-c2ccc(O)cc2)c1CC1CCCCN1
InChIInChI=1S/C16H21N3O/c1-19-16(10-13-4-2-3-9-17-13)15(11-18-19)12-5-7-14(20)8-6-12/h5-8,11,13,17,20H,2-4,9-10H2,1H3
InChIKeyHVQLESZNLMVJSF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.48
Rot. Bonds3

About 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol

4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol (PubChem CID 115053624) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
PubChem CID115053624
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
SMILESCn1ncc(-c2ccc(O)cc2)c1CC1CCCCN1
InChIInChI=1S/C16H21N3O/c1-19-16(10-13-4-2-3-9-17-13)15(11-18-19)12-5-7-14(20)8-6-12/h5-8,11,13,17,20H,2-4,9-10H2,1H3
InChIKeyHVQLESZNLMVJSF-UHFFFAOYSA-N
XLogP2.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
CID 115053619
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235
4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
CID 115053737
1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
CID 166362211
4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998972
3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054072
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol
CID 135191521
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol?
The IUPAC name of 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol (CID 115053624) is 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol.
What is the SMILES notation for 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol?
The canonical SMILES for 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol is Cn1ncc(-c2ccc(O)cc2)c1CC1CCCCN1.
What is the InChIKey of 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol?
The InChIKey is HVQLESZNLMVJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-16(10-13-4-2-3-9-17-13)15(11-18-19)12-5-7-14(20)8-6-12/h5-8,11,13,17,20H,2-4,9-10H2,1H3.
What are the key properties of 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol?
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol is sourced from PubChem (CID 115053624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).