1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine

C16H21N3 — CID 58097390

IUPAC1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1ccc(-c2cc(C3CCN(C)CC3)[nH]n2)cc1
InChIInChI=1S/C16H21N3/c1-12-3-5-13(6-4-12)15-11-16(18-17-15)14-7-9-19(2)10-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyKFDUVDFNKKMJHH-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.19
Rot. Bonds2

About 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine

1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 58097390) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID58097390
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1ccc(-c2cc(C3CCN(C)CC3)[nH]n2)cc1
InChIInChI=1S/C16H21N3/c1-12-3-5-13(6-4-12)15-11-16(18-17-15)14-7-9-19(2)10-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyKFDUVDFNKKMJHH-UHFFFAOYSA-N
XLogP3.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine (CID 58097390) is 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine is Cc1ccc(-c2cc(C3CCN(C)CC3)[nH]n2)cc1.
What is the InChIKey of 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is KFDUVDFNKKMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-3-5-13(6-4-12)15-11-16(18-17-15)14-7-9-19(2)10-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine?
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 58097390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).