tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate

C13H19F2N3O2 — CID 166164134

IUPACtert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CCC1
InChIInChI=1S/C13H19F2N3O2/c1-12(2,3)20-11(19)16-13(6-4-7-13)9-5-8-18(17-9)10(14)15/h5,8,10H,4,6-7H2,1-3H3,(H,16,19)
InChIKeyLONGNSWIKDKPRC-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate

tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate (PubChem CID 166164134) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate
PubChem CID166164134
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Nametert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CCC1
InChIInChI=1S/C13H19F2N3O2/c1-12(2,3)20-11(19)16-13(6-4-7-13)9-5-8-18(17-9)10(14)15/h5,8,10H,4,6-7H2,1-3H3,(H,16,19)
InChIKeyLONGNSWIKDKPRC-UHFFFAOYSA-N
XLogP3.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-tert-butyl N-((3R,4S)-4-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-3-yl)carbamate
CID 137964589
tert-Butyl (2-(1-methyl-1H-pyrazol-5-yl)ethyl)carbamate
CID 45097908
t-Butyl trans-2-(1-methyl-1h-pyrazol-5-yl)cyclopropylcarbamate
CID 129841762
tert-butyl {2-[1-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]ethyl}carbamate
CID 86628156
tert-butyl N-[(4R,5R)-4-(4-amino-1-methylpyrazol-5-yl)-5-fluoroazepan-4-yl]carbamate
CID 89479403
tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate
CID 135283938
Tert-butyl 5-[4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate
CID 135283939
tert-butyl 5-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate
CID 135352264
tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 140667668
tert-butyl N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]carbamate
CID 140844573
tert-butyl N-[4-[1-(difluoromethyl)pyrazol-3-yl]cyclohexyl]carbamate
CID 152349577
methyl N-[3-[1-(difluoromethyl)pyrazol-3-yl]-1-[(E)-1-(methylideneamino)prop-1-en-2-yl]piperidin-3-yl]carbamate
CID 156073393

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate (CID 166164134) is tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CCC1.
What is the InChIKey of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate?
The InChIKey is LONGNSWIKDKPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-12(2,3)20-11(19)16-13(6-4-7-13)9-5-8-18(17-9)10(14)15/h5,8,10H,4,6-7H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate?
tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate has a molecular weight of 287.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclobutyl]carbamate is sourced from PubChem (CID 166164134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).