1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea

C14H24N4O2 — CID 122559542

IUPAC1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea
SMILESCCCn1cc(CNC(=O)N(C)CC2(C)COC2)cn1
InChIInChI=1S/C14H24N4O2/c1-4-5-18-8-12(7-16-18)6-15-13(19)17(3)9-14(2)10-20-11-14/h7-8H,4-6,9-11H2,1-3H3,(H,15,19)
InChIKeyKIRLGWOSHHYVDJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.47
Rot. Bonds6

About 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea

1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea (PubChem CID 122559542) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea
PubChem CID122559542
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea
SMILESCCCn1cc(CNC(=O)N(C)CC2(C)COC2)cn1
InChIInChI=1S/C14H24N4O2/c1-4-5-18-8-12(7-16-18)6-15-13(19)17(3)9-14(2)10-20-11-14/h7-8H,4-6,9-11H2,1-3H3,(H,15,19)
InChIKeyKIRLGWOSHHYVDJ-UHFFFAOYSA-N
XLogP1.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea (CID 122559542) is 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea is CCCn1cc(CNC(=O)N(C)CC2(C)COC2)cn1.
What is the InChIKey of 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea?
The InChIKey is KIRLGWOSHHYVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-5-18-8-12(7-16-18)6-15-13(19)17(3)9-14(2)10-20-11-14/h7-8H,4-6,9-11H2,1-3H3,(H,15,19).
What are the key properties of 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea?
1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[(1-propylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 122559542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).