3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine

C15H19N3 — CID 117355761

IUPAC3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine
SMILESCc1cnn(-c2cccc(C3CCCNC3)c2)c1
InChIInChI=1S/C15H19N3/c1-12-9-17-18(11-12)15-6-2-4-13(8-15)14-5-3-7-16-10-14/h2,4,6,8-9,11,14,16H,3,5,7,10H2,1H3
InChIKeyVTURXOIWGULSCD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.65
Rot. Bonds2

About 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine

3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine (PubChem CID 117355761) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine.

Molecular Properties

Compound Name3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine
PubChem CID117355761
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine
SMILESCc1cnn(-c2cccc(C3CCCNC3)c2)c1
InChIInChI=1S/C15H19N3/c1-12-9-17-18(11-12)15-6-2-4-13(8-15)14-5-3-7-16-10-14/h2,4,6,8-9,11,14,16H,3,5,7,10H2,1H3
InChIKeyVTURXOIWGULSCD-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484974
1,4-dimethyl-3-(3-piperidin-3-ylphenyl)imidazol-2-one
CID 117431504
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
3-piperidin-3-ylbenzenethiol
CID 116988736
6-[4-(4-methylpyrazol-1-yl)phenyl]-N-piperidin-3-ylpyrazin-2-amine
CID 167776078
N-[(3-piperidin-3-ylphenyl)methyl]cyclopropanamine
CID 116988705
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
2-methyl-4-piperidin-3-ylphenol
CID 84663479
3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
CID 115053824
N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine?
The IUPAC name of 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine (CID 117355761) is 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine.
What is the SMILES notation for 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine?
The canonical SMILES for 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine is Cc1cnn(-c2cccc(C3CCCNC3)c2)c1.
What is the InChIKey of 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine?
The InChIKey is VTURXOIWGULSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-9-17-18(11-12)15-6-2-4-13(8-15)14-5-3-7-16-10-14/h2,4,6,8-9,11,14,16H,3,5,7,10H2,1H3.
What are the key properties of 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine?
3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine has a molecular weight of 241.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine is sourced from PubChem (CID 117355761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).