propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate

C16H25F2N3O2 — CID 172633846

IUPACpropan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1c(C(C)(C)C)c(C2CC(F)(F)C2)nn1C
InChIInChI=1S/C16H25F2N3O2/c1-9(2)23-14(22)19-13-11(15(3,4)5)12(20-21(13)6)10-7-16(17,18)8-10/h9-10H,7-8H2,1-6H3,(H,19,22)
InChIKeyPCMYQVZNSOSXHZ-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.19
Rot. Bonds3

About propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate

propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 172633846) has the molecular formula C16H25F2N3O2 and a molecular weight of 329.39 g/mol. Its IUPAC name is propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate
PubChem CID172633846
Molecular FormulaC16H25F2N3O2
Molecular Weight329.39 g/mol
Exact Mass329.19
IUPAC Namepropan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1c(C(C)(C)C)c(C2CC(F)(F)C2)nn1C
InChIInChI=1S/C16H25F2N3O2/c1-9(2)23-14(22)19-13-11(15(3,4)5)12(20-21(13)6)10-7-16(17,18)8-10/h9-10H,7-8H2,1-6H3,(H,19,22)
InChIKeyPCMYQVZNSOSXHZ-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate
CID 169169544
[(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
CID 172633871
[3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
CID 172633790
2,2,2-trifluoroethyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-phenylpyrazol-5-yl]carbamate
CID 172633838
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1S)-1-cyclopropylethyl]urea
CID 172633950
(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate
CID 172633854
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 172633791
N-[4-cyclobutyl-3-[(1S)-1-(3,3-difluorocyclobutyl)ethyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide
CID 169169455
1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
CID 172633879
2,2-difluoroethyl N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
CID 170135997
(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
CID 169169644
[4-(difluoromethyl)cyclohexyl] N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169634

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate (CID 172633846) is propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate is CC(C)OC(=O)Nc1c(C(C)(C)C)c(C2CC(F)(F)C2)nn1C.
What is the InChIKey of propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is PCMYQVZNSOSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O2/c1-9(2)23-14(22)19-13-11(15(3,4)5)12(20-21(13)6)10-7-16(17,18)8-10/h9-10H,7-8H2,1-6H3,(H,19,22).
What are the key properties of propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate?
propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 329.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 172633846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).