1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea

C14H26N4O2 — CID 97276342

IUPAC1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea
SMILESCC[C@@H](COC)NC(=O)Nc1cc(C)nn1CC(C)C
InChIInChI=1S/C14H26N4O2/c1-6-12(9-20-5)15-14(19)16-13-7-11(4)17-18(13)8-10(2)3/h7,10,12H,6,8-9H2,1-5H3,(H2,15,16,19)/t12-/m0/s1
InChIKeyPWFHOAPSLOBSDA-LBPRGKRZSA-N
MW282.39 g/mol
LogP2.39
Rot. Bonds7

About 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea

1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea (PubChem CID 97276342) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea
PubChem CID97276342
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea
SMILESCC[C@@H](COC)NC(=O)Nc1cc(C)nn1CC(C)C
InChIInChI=1S/C14H26N4O2/c1-6-12(9-20-5)15-14(19)16-13-7-11(4)17-18(13)8-10(2)3/h7,10,12H,6,8-9H2,1-5H3,(H2,15,16,19)/t12-/m0/s1
InChIKeyPWFHOAPSLOBSDA-LBPRGKRZSA-N
XLogP2.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea (CID 97276342) is 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea is CC[C@@H](COC)NC(=O)Nc1cc(C)nn1CC(C)C.
What is the InChIKey of 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea?
The InChIKey is PWFHOAPSLOBSDA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-6-12(9-20-5)15-14(19)16-13-7-11(4)17-18(13)8-10(2)3/h7,10,12H,6,8-9H2,1-5H3,(H2,15,16,19)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea?
1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea has a molecular weight of 282.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxybutan-2-yl]-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]urea is sourced from PubChem (CID 97276342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).