1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine

C12H20ClN3 — CID 60795954

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
SMILESCc1nn(C)c(Cl)c1CN1CCCCC1C
InChIInChI=1S/C12H20ClN3/c1-9-6-4-5-7-16(9)8-11-10(2)14-15(3)12(11)13/h9H,4-8H2,1-3H3
InChIKeyMVOQRNXIQSRWGA-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.76
Rot. Bonds2

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine (PubChem CID 60795954) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
PubChem CID60795954
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
SMILESCc1nn(C)c(Cl)c1CN1CCCCC1C
InChIInChI=1S/C12H20ClN3/c1-9-6-4-5-7-16(9)8-11-10(2)14-15(3)12(11)13/h9H,4-8H2,1-3H3
InChIKeyMVOQRNXIQSRWGA-UHFFFAOYSA-N
XLogP2.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
CID 50952219
[1,3-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]pyrazol-5-yl]hydrazine
CID 62244988
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744710
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylmorpholine
CID 60796849
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 104862078
(2S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
CID 95336540
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine
CID 114592925
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
CID 43122170

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine (CID 60795954) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine is Cc1nn(C)c(Cl)c1CN1CCCCC1C.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine?
The InChIKey is MVOQRNXIQSRWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9-6-4-5-7-16(9)8-11-10(2)14-15(3)12(11)13/h9H,4-8H2,1-3H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine has a molecular weight of 241.77 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine is sourced from PubChem (CID 60795954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).