1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine

C11H18F2N4 — CID 120906075

IUPAC1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine
SMILESCC1CN(Cc2ccn(C(F)F)n2)C(C)CN1
InChIInChI=1S/C11H18F2N4/c1-8-6-16(9(2)5-14-8)7-10-3-4-17(15-10)11(12)13/h3-4,8-9,11,14H,5-7H2,1-2H3
InChIKeyVUXFFAJLBMQVNB-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.46
Rot. Bonds3

About 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine

1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine (PubChem CID 120906075) has the molecular formula C11H18F2N4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine
PubChem CID120906075
Molecular FormulaC11H18F2N4
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine
SMILESCC1CN(Cc2ccn(C(F)F)n2)C(C)CN1
InChIInChI=1S/C11H18F2N4/c1-8-6-16(9(2)5-14-8)7-10-3-4-17(15-10)11(12)13/h3-4,8-9,11,14H,5-7H2,1-2H3
InChIKeyVUXFFAJLBMQVNB-UHFFFAOYSA-N
XLogP1.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazine
CID 64845272
3,7-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64871956
2-tert-butyl-5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64844786
5-cyclopropyl-2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64862206
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909215
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 64980823
4-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride
CID 120906277
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702065

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine (CID 120906075) is 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine is CC1CN(Cc2ccn(C(F)F)n2)C(C)CN1.
What is the InChIKey of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine?
The InChIKey is VUXFFAJLBMQVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4/c1-8-6-16(9(2)5-14-8)7-10-3-4-17(15-10)11(12)13/h3-4,8-9,11,14H,5-7H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine?
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine has a molecular weight of 244.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 120906075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).