1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea

C10H18N4O — CID 36508447

IUPAC1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCC(C)CNC(=O)NCc1ccnn1C
InChIInChI=1S/C10H18N4O/c1-8(2)6-11-10(15)12-7-9-4-5-13-14(9)3/h4-5,8H,6-7H2,1-3H3,(H2,11,12,15)
InChIKeyIDLXMJSIKYOFHP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds4

About 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea

1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 36508447) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID36508447
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCC(C)CNC(=O)NCc1ccnn1C
InChIInChI=1S/C10H18N4O/c1-8(2)6-11-10(15)12-7-9-4-5-13-14(9)3/h4-5,8H,6-7H2,1-3H3,(H2,11,12,15)
InChIKeyIDLXMJSIKYOFHP-UHFFFAOYSA-N
XLogP0.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 36508447) is 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea is CC(C)CNC(=O)NCc1ccnn1C.
What is the InChIKey of 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is IDLXMJSIKYOFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)6-11-10(15)12-7-9-4-5-13-14(9)3/h4-5,8H,6-7H2,1-3H3,(H2,11,12,15).
What are the key properties of 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 210.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 36508447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).