tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate

C14H24F2N4O2 — CID 104953986

IUPACtert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate
SMILESCc1c(CNCC(F)(F)CNC(=O)OC(C)(C)C)cnn1C
InChIInChI=1S/C14H24F2N4O2/c1-10-11(7-19-20(10)5)6-17-8-14(15,16)9-18-12(21)22-13(2,3)4/h7,17H,6,8-9H2,1-5H3,(H,18,21)
InChIKeyFBOSXCDFNXAXQJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.98
Rot. Bonds6

About tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate

tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate (PubChem CID 104953986) has the molecular formula C14H24F2N4O2 and a molecular weight of 318.37 g/mol. Its IUPAC name is tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate
PubChem CID104953986
Molecular FormulaC14H24F2N4O2
Molecular Weight318.37 g/mol
Exact Mass318.19
IUPAC Nametert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate
SMILESCc1c(CNCC(F)(F)CNC(=O)OC(C)(C)C)cnn1C
InChIInChI=1S/C14H24F2N4O2/c1-10-11(7-19-20(10)5)6-17-8-14(15,16)9-18-12(21)22-13(2,3)4/h7,17H,6,8-9H2,1-5H3,(H,18,21)
InChIKeyFBOSXCDFNXAXQJ-UHFFFAOYSA-N
XLogP1.98
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(aminomethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 71305923
tert-butyl N-[(4-ethynyl-1-methyl-1H-pyrazol-3-yl)methyl]carbamate
CID 121207408
tert-butyl 3-((methylamino)methyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 132398472
tert-butyl N-[(4-ethynyl-1-methyl-1H-pyrazol-5-yl)methyl]carbamate
CID 146082048
tert-butyl (2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 99606833
tert-butyl (3R)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-methylpyrrolidine-1-carboxylate
CID 99792041
tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate
CID 164630510
tert-butyl N-[[5-[[[(2S)-2-cyanopropyl]amino]methyl]-1-methylpyrazol-4-yl]methyl]carbamate
CID 164636991
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 4437626
tert-butyl {2-[1-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]ethyl}carbamate
CID 86628156
1,1,1-Trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 118098568
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 118098577

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate (CID 104953986) is tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate is Cc1c(CNCC(F)(F)CNC(=O)OC(C)(C)C)cnn1C.
What is the InChIKey of tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate?
The InChIKey is FBOSXCDFNXAXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N4O2/c1-10-11(7-19-20(10)5)6-17-8-14(15,16)9-18-12(21)22-13(2,3)4/h7,17H,6,8-9H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate has a molecular weight of 318.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 104953986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).