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

C16H21N3 — CID 115054052

IUPAC4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine
SMILESCc1ccc(-n2cc(CC3CCNCC3)cn2)cc1
InChIInChI=1S/C16H21N3/c1-13-2-4-16(5-3-13)19-12-15(11-18-19)10-14-6-8-17-9-7-14/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyCICLPFOVAMYYGH-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.72
Rot. Bonds3

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

4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine (PubChem CID 115054052) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine
PubChem CID115054052
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine
SMILESCc1ccc(-n2cc(CC3CCNCC3)cn2)cc1
InChIInChI=1S/C16H21N3/c1-13-2-4-16(5-3-13)19-12-15(11-18-19)10-14-6-8-17-9-7-14/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyCICLPFOVAMYYGH-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
CID 115054107
3-[1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 83894149
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415
4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
CID 117391867
(7S,9aR)-7-(hydroxymethyl)-2-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56857964
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718617
(7R,9aR)-7-methyl-2-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56859834
(7R,9aR)-7-[(1S)-1-hydroxyethyl]-2-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856756
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
CID 60710496

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine (CID 115054052) is 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine is Cc1ccc(-n2cc(CC3CCNCC3)cn2)cc1.
What is the InChIKey of 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine?
The InChIKey is CICLPFOVAMYYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-2-4-16(5-3-13)19-12-15(11-18-19)10-14-6-8-17-9-7-14/h2-5,11-12,14,17H,6-10H2,1H3.
What are the key properties of 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine?
4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 115054052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).