(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate

C19H27F2N3O2 — CID 172633854

IUPAC(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate
SMILESCn1nc(C2CCCCC2)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1
InChIInChI=1S/C19H27F2N3O2/c1-24-17(22-18(25)26-14-10-19(20,21)11-14)15(12-8-5-9-12)16(23-24)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H,22,25)
InChIKeyDCWZHYUCQFHBFX-UHFFFAOYSA-N
MW367.44 g/mol
LogP5.08
Rot. Bonds4

About (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate

(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate (PubChem CID 172633854) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate
PubChem CID172633854
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC Name(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate
SMILESCn1nc(C2CCCCC2)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1
InChIInChI=1S/C19H27F2N3O2/c1-24-17(22-18(25)26-14-10-19(20,21)11-14)15(12-8-5-9-12)16(23-24)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H,22,25)
InChIKeyDCWZHYUCQFHBFX-UHFFFAOYSA-N
XLogP5.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 172633791
[4-(difluoromethyl)cyclohexyl] N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169634
1-[4-cyclobutyl-2-methyl-5-(3-oxocyclobutyl)pyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169307
1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169358
butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate
CID 176835406
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1S)-1-cyclopropylethyl]urea
CID 172633950
butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 176835402
(1S)-N-[4-cyclobutyl-5-(3,3-dimethylcyclobutyl)-2-methylpyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169357
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-1-methyl-3-[1-[(2E)-nona-2,6,8-trien-2-yl]cyclopropyl]pyrazol-5-yl]carbamate;ethane
CID 169169409
1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
CID 172633879
N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 172633793
[3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
CID 172633790

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate?
The IUPAC name of (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate (CID 172633854) is (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate?
The canonical SMILES for (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate is Cn1nc(C2CCCCC2)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate?
The InChIKey is DCWZHYUCQFHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-24-17(22-18(25)26-14-10-19(20,21)11-14)15(12-8-5-9-12)16(23-24)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H,22,25).
What are the key properties of (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate?
(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate has a molecular weight of 367.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 172633854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).