1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea

C18H24F4N4O — CID 169169444

IUPAC1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)N[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C18H24F4N4O/c1-26-15(24-16(27)23-12-5-6-17(19,20)9-12)13(10-3-2-4-10)14(25-26)11-7-18(21,22)8-11/h10-12H,2-9H2,1H3,(H2,23,24,27)/t12-/m1/s1
InChIKeyVFPKHDWJDYDCPK-GFCCVEGCSA-N
MW388.41 g/mol
LogP4.51
Rot. Bonds4

About 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea

1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea (PubChem CID 169169444) has the molecular formula C18H24F4N4O and a molecular weight of 388.41 g/mol. Its IUPAC name is 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea.

Molecular Properties

Compound Name1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea
PubChem CID169169444
Molecular FormulaC18H24F4N4O
Molecular Weight388.41 g/mol
Exact Mass388.19
IUPAC Name1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)N[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C18H24F4N4O/c1-26-15(24-16(27)23-12-5-6-17(19,20)9-12)13(10-3-2-4-10)14(25-26)11-7-18(21,22)8-11/h10-12H,2-9H2,1H3,(H2,23,24,27)/t12-/m1/s1
InChIKeyVFPKHDWJDYDCPK-GFCCVEGCSA-N
XLogP4.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 122133050
(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
(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
1-[4-(Azetidin-3-ylmethyl)-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 169169302
1-[4-Cyclobutyl-2-methyl-5-(3-oxocyclobutyl)pyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169307
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide
CID 169169308

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea?
The IUPAC name of 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea (CID 169169444) is 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea.
What is the SMILES notation for 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea?
The canonical SMILES for 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea is Cn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)N[C@@H]1CCC(F)(F)C1.
What is the InChIKey of 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea?
The InChIKey is VFPKHDWJDYDCPK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24F4N4O/c1-26-15(24-16(27)23-12-5-6-17(19,20)9-12)13(10-3-2-4-10)14(25-26)11-7-18(21,22)8-11/h10-12H,2-9H2,1H3,(H2,23,24,27)/t12-/m1/s1.
What are the key properties of 1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea?
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1R)-3,3-difluorocyclopentyl]urea has a molecular weight of 388.41 g/mol, XLogP of 4.51, 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-[(1R)-3,3-difluorocyclopentyl]urea is sourced from PubChem (CID 169169444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).