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

C19H28F2N4O — CID 170135212

IUPAC1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
SMILESCn1nc(C2CCCCC2)c(C2CCC2)c1NC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C19H28F2N4O/c1-25-17(23-18(26)22-14-10-19(20,21)11-14)15(12-8-5-9-12)16(24-25)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H2,22,23,26)
InChIKeyHTQDRSBNINTYQW-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.65
Rot. Bonds4

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

1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea (PubChem CID 170135212) has the molecular formula C19H28F2N4O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea.

Molecular Properties

Compound Name1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
PubChem CID170135212
Molecular FormulaC19H28F2N4O
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
SMILESCn1nc(C2CCCCC2)c(C2CCC2)c1NC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C19H28F2N4O/c1-25-17(23-18(26)22-14-10-19(20,21)11-14)15(12-8-5-9-12)16(24-25)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H2,22,23,26)
InChIKeyHTQDRSBNINTYQW-UHFFFAOYSA-N
XLogP4.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea?
The IUPAC name of 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea (CID 170135212) is 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea.
What is the SMILES notation for 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea?
The canonical SMILES for 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea is Cn1nc(C2CCCCC2)c(C2CCC2)c1NC(=O)NC1CC(F)(F)C1.
What is the InChIKey of 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea?
The InChIKey is HTQDRSBNINTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O/c1-25-17(23-18(26)22-14-10-19(20,21)11-14)15(12-8-5-9-12)16(24-25)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H2,22,23,26).
What are the key properties of 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea?
1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea has a molecular weight of 366.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea is sourced from PubChem (CID 170135212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).