1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea

C12H20N4O2 — CID 138010362

IUPAC1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea
SMILESCN(Cc1ccn(C)n1)C(=O)N[C@@H]1CCCOC1
InChIInChI=1S/C12H20N4O2/c1-15(8-10-5-6-16(2)14-10)12(17)13-11-4-3-7-18-9-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,13,17)/t11-/m1/s1
InChIKeyNSJNUSNWTKYCLH-LLVKDONJSA-N
MW252.32 g/mol
LogP0.74
Rot. Bonds3

About 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea

1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea (PubChem CID 138010362) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea
PubChem CID138010362
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea
SMILESCN(Cc1ccn(C)n1)C(=O)N[C@@H]1CCCOC1
InChIInChI=1S/C12H20N4O2/c1-15(8-10-5-6-16(2)14-10)12(17)13-11-4-3-7-18-9-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,13,17)/t11-/m1/s1
InChIKeyNSJNUSNWTKYCLH-LLVKDONJSA-N
XLogP0.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-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

Related Compounds

1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
1-(2-methoxyethyl)-3-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)urea
CID 71808074
N-(4-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448561
N-(1-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448733
N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 84597978
1-[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 134790097
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-1H-imidazol-2-one
CID 134791976
1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 71893193
N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 125446023
3-[(1S,2S)-2-methoxycyclohexyl]-1-methyl-1-[(1-methylpyrazol-3-yl)methyl]urea
CID 138010318
N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 51078104
N-(1-morpholin-4-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 51080920

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea?
The IUPAC name of 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea (CID 138010362) is 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea is CN(Cc1ccn(C)n1)C(=O)N[C@@H]1CCCOC1.
What is the InChIKey of 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea?
The InChIKey is NSJNUSNWTKYCLH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15(8-10-5-6-16(2)14-10)12(17)13-11-4-3-7-18-9-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,13,17)/t11-/m1/s1.
What are the key properties of 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea?
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea has a molecular weight of 252.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(3R)-oxan-3-yl]urea is sourced from PubChem (CID 138010362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).