4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine

C12H21N3 — CID 23559247

IUPAC4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine
SMILESCc1[nH]nc(CC2CCN(C)CC2)c1C
InChIInChI=1S/C12H21N3/c1-9-10(2)13-14-12(9)8-11-4-6-15(3)7-5-11/h11H,4-8H2,1-3H3,(H,13,14)
InChIKeyDOXXHOFZJFXBCV-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.91
Rot. Bonds2

About 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine

4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine (PubChem CID 23559247) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine
PubChem CID23559247
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine
SMILESCc1[nH]nc(CC2CCN(C)CC2)c1C
InChIInChI=1S/C12H21N3/c1-9-10(2)13-14-12(9)8-11-4-6-15(3)7-5-11/h11H,4-8H2,1-3H3,(H,13,14)
InChIKeyDOXXHOFZJFXBCV-UHFFFAOYSA-N
XLogP1.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pentyl-4,5,6,7-tetrahydro-1H-indazole
CID 585962
3,5-Diethyl-4-methylpyrazole
CID 139517
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-isopropyl-1H-pyrazol-5-yl)piperidine
CID 56710882
Pyrazole, 4-ethyl-3,5-dipropyl-
CID 586388
3-Isopropyl-4,5,6,7-tetrahydro-1H-indazole
CID 5226481
2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
CID 71695369
4-(3-methyl-1H-pyrazol-5-yl)piperidine dihydrochloride
CID 71757999
3-(3-methyl-1H-pyrazol-5-yl)piperidine hydrochloride
CID 112756464
3-(piperidin-4-yl)-4,5,6,7-tetrahydro-2H-indazole hydrochloride
CID 145913453
3-Cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 29893263
Pyrazole, 3-cyclopentyl-5-ethyl-4-methyl-
CID 171383954

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine?
The IUPAC name of 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine (CID 23559247) is 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine?
The canonical SMILES for 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine is Cc1[nH]nc(CC2CCN(C)CC2)c1C.
What is the InChIKey of 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine?
The InChIKey is DOXXHOFZJFXBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-10(2)13-14-12(9)8-11-4-6-15(3)7-5-11/h11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine?
4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-methylpiperidine is sourced from PubChem (CID 23559247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).