1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

C14H20N4OS — CID 94101998

IUPAC1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccsc1CN(C)C(=O)N[C@H](C)Cn1cccn1
InChIInChI=1S/C14H20N4OS/c1-11-5-8-20-13(11)10-17(3)14(19)16-12(2)9-18-7-4-6-15-18/h4-8,12H,9-10H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyDHBODWJKEPROLR-GFCCVEGCSA-N
MW292.41 g/mol
LogP2.48
Rot. Bonds5

About 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94101998) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94101998
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccsc1CN(C)C(=O)N[C@H](C)Cn1cccn1
InChIInChI=1S/C14H20N4OS/c1-11-5-8-20-13(11)10-17(3)14(19)16-12(2)9-18-7-4-6-15-18/h4-8,12H,9-10H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyDHBODWJKEPROLR-GFCCVEGCSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea with MolForge

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Related Compounds

US11026923, Example 65
CID 155773326
1-[1-[(3-Cyanophenyl)methyl]pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3387984
1-[1-(4-Cyanobutyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3860221
3-pyrazol-1-yl-N-(1-thiophen-2-ylethyl)propanamide
CID 45802489
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 45810582
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45811751
3-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 45815352
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45818631
N-(1-pyrazol-1-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 45818981
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821374
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-3-ylethyl)urea
CID 45828490
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 45831191

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94101998) is 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is Cc1ccsc1CN(C)C(=O)N[C@H](C)Cn1cccn1.
What is the InChIKey of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is DHBODWJKEPROLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-5-8-20-13(11)10-17(3)14(19)16-12(2)9-18-7-4-6-15-18/h4-8,12H,9-10H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 292.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94101998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).