(2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine

C12H19F2N3 — CID 145069957

IUPAC(2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine
SMILESC[C@@H]1CC[C@@H](c2cnn(CC(C)(F)F)c2)CN1
InChIInChI=1S/C12H19F2N3/c1-9-3-4-10(5-15-9)11-6-16-17(7-11)8-12(2,13)14/h6-7,9-10,15H,3-5,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyYGPAAQDQWCBXJZ-NXEZZACHSA-N
MW243.30 g/mol
LogP2.39
Rot. Bonds3

About (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine

(2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine (PubChem CID 145069957) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine.

Molecular Properties

Compound Name(2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine
PubChem CID145069957
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine
SMILESC[C@@H]1CC[C@@H](c2cnn(CC(C)(F)F)c2)CN1
InChIInChI=1S/C12H19F2N3/c1-9-3-4-10(5-15-9)11-6-16-17(7-11)8-12(2,13)14/h6-7,9-10,15H,3-5,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyYGPAAQDQWCBXJZ-NXEZZACHSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929
3-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 62405677
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740
1-methyl-4-[(pyrrolidin-2-yl)methyl]-1H-pyrazole
CID 64089898
4-(1-methyl-1H-pyrazol-4-yl)piperidine hydrochloride
CID 91647506
1-(1-ethyl-1H-pyrazol-4-yl)propan-1-amine
CID 23005819
N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 86779459

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine?
The IUPAC name of (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine (CID 145069957) is (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine.
What is the SMILES notation for (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine?
The canonical SMILES for (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine is C[C@@H]1CC[C@@H](c2cnn(CC(C)(F)F)c2)CN1.
What is the InChIKey of (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine?
The InChIKey is YGPAAQDQWCBXJZ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-9-3-4-10(5-15-9)11-6-16-17(7-11)8-12(2,13)14/h6-7,9-10,15H,3-5,8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine?
(2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine has a molecular weight of 243.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine is sourced from PubChem (CID 145069957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).