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

C18H26F2N4O2 — CID 169169268

IUPAC1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea
SMILESCn1nc(C2CC(O)C2)c(C2CCC2)c1NC(=O)NC1CCC(F)(F)C1
InChIInChI=1S/C18H26F2N4O2/c1-24-16(22-17(26)21-12-5-6-18(19,20)9-12)14(10-3-2-4-10)15(23-24)11-7-13(25)8-11/h10-13,25H,2-9H2,1H3,(H2,21,22,26)
InChIKeyVDGFIONWNNKTIX-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.24
Rot. Bonds4

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

1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea (PubChem CID 169169268) has the molecular formula C18H26F2N4O2 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea.

Molecular Properties

Compound Name1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea
PubChem CID169169268
Molecular FormulaC18H26F2N4O2
Molecular Weight368.43 g/mol
Exact Mass368.20
IUPAC Name1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea
SMILESCn1nc(C2CC(O)C2)c(C2CCC2)c1NC(=O)NC1CCC(F)(F)C1
InChIInChI=1S/C18H26F2N4O2/c1-24-16(22-17(26)21-12-5-6-18(19,20)9-12)14(10-3-2-4-10)15(23-24)11-7-13(25)8-11/h10-13,25H,2-9H2,1H3,(H2,21,22,26)
InChIKeyVDGFIONWNNKTIX-UHFFFAOYSA-N
XLogP3.24
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea?
The IUPAC name of 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea (CID 169169268) is 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea.
What is the SMILES notation for 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea?
The canonical SMILES for 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea is Cn1nc(C2CC(O)C2)c(C2CCC2)c1NC(=O)NC1CCC(F)(F)C1.
What is the InChIKey of 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea?
The InChIKey is VDGFIONWNNKTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O2/c1-24-16(22-17(26)21-12-5-6-18(19,20)9-12)14(10-3-2-4-10)15(23-24)11-7-13(25)8-11/h10-13,25H,2-9H2,1H3,(H2,21,22,26).
What are the key properties of 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea?
1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea has a molecular weight of 368.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclopentyl)urea is sourced from PubChem (CID 169169268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).