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

C13H22ClN3 — CID 55157463

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
SMILESCc1nn(C)c(Cl)c1CN1CCC(C)(C)CC1
InChIInChI=1S/C13H22ClN3/c1-10-11(12(14)16(4)15-10)9-17-7-5-13(2,3)6-8-17/h5-9H2,1-4H3
InChIKeyABFPEPURYJBFFJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.00
Rot. Bonds2

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine (PubChem CID 55157463) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
PubChem CID55157463
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
SMILESCc1nn(C)c(Cl)c1CN1CCC(C)(C)CC1
InChIInChI=1S/C13H22ClN3/c1-10-11(12(14)16(4)15-10)9-17-7-5-13(2,3)6-8-17/h5-9H2,1-4H3
InChIKeyABFPEPURYJBFFJ-UHFFFAOYSA-N
XLogP3.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 63219492
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 55117785
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 172514454
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961330
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine
CID 65463380

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine (CID 55157463) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine is Cc1nn(C)c(Cl)c1CN1CCC(C)(C)CC1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine?
The InChIKey is ABFPEPURYJBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-10-11(12(14)16(4)15-10)9-17-7-5-13(2,3)6-8-17/h5-9H2,1-4H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine has a molecular weight of 255.79 g/mol, XLogP of 3.00, 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]-4,4-dimethylpiperidine is sourced from PubChem (CID 55157463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).