3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol

C15H19N3O — CID 115054072

IUPAC3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol
SMILESOc1cccc(-n2cc(CC3CCCCN3)cn2)c1
InChIInChI=1S/C15H19N3O/c19-15-6-3-5-14(9-15)18-11-12(10-17-18)8-13-4-1-2-7-16-13/h3,5-6,9-11,13,16,19H,1-2,4,7-8H2
InChIKeyGHKJRDVAATYLBP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.26
Rot. Bonds3

About 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol

3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol (PubChem CID 115054072) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol
PubChem CID115054072
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol
SMILESOc1cccc(-n2cc(CC3CCCCN3)cn2)c1
InChIInChI=1S/C15H19N3O/c19-15-6-3-5-14(9-15)18-11-12(10-17-18)8-13-4-1-2-7-16-13/h3,5-6,9-11,13,16,19H,1-2,4,7-8H2
InChIKeyGHKJRDVAATYLBP-UHFFFAOYSA-N
XLogP2.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054088
1-(2-fluorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054112
1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054113
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
3-[4-(pyrrolidin-3-ylmethoxy)pyrazol-1-yl]phenol
CID 117230320
1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole
CID 117230301
4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
CID 117358210
1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 84734214
5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine
CID 143624917
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
1-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510837
2-[(3-chlorophenyl)methyl]azepane
CID 5094056

Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol?
The IUPAC name of 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol (CID 115054072) is 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol is Oc1cccc(-n2cc(CC3CCCCN3)cn2)c1.
What is the InChIKey of 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol?
The InChIKey is GHKJRDVAATYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-6-3-5-14(9-15)18-11-12(10-17-18)8-13-4-1-2-7-16-13/h3,5-6,9-11,13,16,19H,1-2,4,7-8H2.
What are the key properties of 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol?
3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol has a molecular weight of 257.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 115054072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).