1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea

C14H20F2N4O — CID 172633879

IUPAC1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
SMILESCc1c(C2CCC2)nn(C)c1NC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C14H20F2N4O/c1-8-11(9-4-3-5-9)19-20(2)12(8)18-13(21)17-10-6-14(15,16)7-10/h9-10H,3-7H2,1-2H3,(H2,17,18,21)
InChIKeyZILRELBSMKIEBH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.92
Rot. Bonds3

About 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea

1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea (PubChem CID 172633879) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea.

Molecular Properties

Compound Name1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
PubChem CID172633879
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
SMILESCc1c(C2CCC2)nn(C)c1NC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C14H20F2N4O/c1-8-11(9-4-3-5-9)19-20(2)12(8)18-13(21)17-10-6-14(15,16)7-10/h9-10H,3-7H2,1-2H3,(H2,17,18,21)
InChIKeyZILRELBSMKIEBH-UHFFFAOYSA-N
XLogP2.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169767
1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea
CID 172633878
(3,3-difluorocyclobutyl) N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)carbamate
CID 172633854
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-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 172633791
[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate
CID 169169544
1-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-[(1S)-3,3-difluorocyclopentyl]urea
CID 169169761
(2S)-N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
CID 169169644
1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 136536189
(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 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea?
The IUPAC name of 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea (CID 172633879) is 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea.
What is the SMILES notation for 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea?
The canonical SMILES for 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea is Cc1c(C2CCC2)nn(C)c1NC(=O)NC1CC(F)(F)C1.
What is the InChIKey of 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea?
The InChIKey is ZILRELBSMKIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-8-11(9-4-3-5-9)19-20(2)12(8)18-13(21)17-10-6-14(15,16)7-10/h9-10H,3-7H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea?
1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea has a molecular weight of 298.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea is sourced from PubChem (CID 172633879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).