1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea

C16H24F2N4O — CID 172633729

IUPAC1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C
InChIInChI=1S/C16H24F2N4O/c1-9(2)19-15(23)20-14-12(10-5-4-6-10)13(21-22(14)3)11-7-16(17,18)8-11/h9-11H,4-8H2,1-3H3,(H2,19,20,23)
InChIKeyQSWJQSRVSPNMRK-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea

1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea (PubChem CID 172633729) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea
PubChem CID172633729
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C
InChIInChI=1S/C16H24F2N4O/c1-9(2)19-15(23)20-14-12(10-5-4-6-10)13(21-22(14)3)11-7-16(17,18)8-11/h9-11H,4-8H2,1-3H3,(H2,19,20,23)
InChIKeyQSWJQSRVSPNMRK-UHFFFAOYSA-N
XLogP3.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-4-(2-methylpropyl)-1H-pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 53600269
1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 122133050
cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169263
(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169265
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
1-[4-Cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea
CID 169169268
3-cyclobutyl-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169271
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169281
2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate
CID 169169283
(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169291
2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
CID 169169293
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169294

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea (CID 172633729) is 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C.
What is the InChIKey of 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea?
The InChIKey is QSWJQSRVSPNMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-9(2)19-15(23)20-14-12(10-5-4-6-10)13(21-22(14)3)11-7-16(17,18)8-11/h9-11H,4-8H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea?
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea has a molecular weight of 326.39 g/mol, XLogP of 3.73, 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-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 172633729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).