1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea

C18H26N6O2 — CID 155957495

IUPAC1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CN(C(=O)Nc1cc(C2CCCOC2)nn1C)C1CC1
InChIInChI=1S/C18H26N6O2/c1-22-15(7-8-19-22)11-24(14-5-6-14)18(25)20-17-10-16(21-23(17)2)13-4-3-9-26-12-13/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3,(H,20,25)
InChIKeyVOANIYYTZRSCFF-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.24
Rot. Bonds5

About 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea

1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 155957495) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID155957495
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CN(C(=O)Nc1cc(C2CCCOC2)nn1C)C1CC1
InChIInChI=1S/C18H26N6O2/c1-22-15(7-8-19-22)11-24(14-5-6-14)18(25)20-17-10-16(21-23(17)2)13-4-3-9-26-12-13/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3,(H,20,25)
InChIKeyVOANIYYTZRSCFF-UHFFFAOYSA-N
XLogP2.24
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea (CID 155957495) is 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea is Cn1nccc1CN(C(=O)Nc1cc(C2CCCOC2)nn1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is VOANIYYTZRSCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-22-15(7-8-19-22)11-24(14-5-6-14)18(25)20-17-10-16(21-23(17)2)13-4-3-9-26-12-13/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3,(H,20,25).
What are the key properties of 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea?
1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 358.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 155957495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).