[(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate

C16H21F4N3O2 — CID 172633871

IUPAC[(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
SMILESCC(C)c1c(C2CC(F)(F)C2)nn(C)c1NC(=O)OC[C@H]1CC1(F)F
InChIInChI=1S/C16H21F4N3O2/c1-8(2)11-12(9-4-15(17,18)5-9)22-23(3)13(11)21-14(24)25-7-10-6-16(10,19)20/h8-10H,4-7H2,1-3H3,(H,21,24)/t10-/m1/s1
InChIKeyNJIHQYXWNNETCZ-SNVBAGLBSA-N
MW363.36 g/mol
LogP4.26
Rot. Bonds5

About [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate

[(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate (PubChem CID 172633871) has the molecular formula C16H21F4N3O2 and a molecular weight of 363.36 g/mol. Its IUPAC name is [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name[(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
PubChem CID172633871
Molecular FormulaC16H21F4N3O2
Molecular Weight363.36 g/mol
Exact Mass363.16
IUPAC Name[(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
SMILESCC(C)c1c(C2CC(F)(F)C2)nn(C)c1NC(=O)OC[C@H]1CC1(F)F
InChIInChI=1S/C16H21F4N3O2/c1-8(2)11-12(9-4-15(17,18)5-9)22-23(3)13(11)21-14(24)25-7-10-6-16(10,19)20/h8-10H,4-7H2,1-3H3,(H,21,24)/t10-/m1/s1
InChIKeyNJIHQYXWNNETCZ-SNVBAGLBSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
CID 172633790
propan-2-yl N-[4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-yl]carbamate
CID 172633846
[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate
CID 169169544
2,2,2-trifluoroethyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-phenylpyrazol-5-yl]carbamate
CID 172633838
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 172633791
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
2,2-difluoroethyl N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
CID 170135997
1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
CID 172633879
butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 176835402
butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate
CID 176835406
(1S)-N-[4-cyclobutyl-5-(3,3-dimethylcyclobutyl)-2-methylpyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169357

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The IUPAC name of [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate (CID 172633871) is [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate.
What is the SMILES notation for [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The canonical SMILES for [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate is CC(C)c1c(C2CC(F)(F)C2)nn(C)c1NC(=O)OC[C@H]1CC1(F)F.
What is the InChIKey of [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
The InChIKey is NJIHQYXWNNETCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21F4N3O2/c1-8(2)11-12(9-4-15(17,18)5-9)22-23(3)13(11)21-14(24)25-7-10-6-16(10,19)20/h8-10H,4-7H2,1-3H3,(H,21,24)/t10-/m1/s1.
What are the key properties of [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate?
[(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate has a molecular weight of 363.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluorocyclopropyl]methyl N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate is sourced from PubChem (CID 172633871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).