1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea

C12H20N4O — CID 136520928

IUPAC1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC1CC1NC(=O)N(C)C(C)c1cnn(C)c1
InChIInChI=1S/C12H20N4O/c1-8-5-11(8)14-12(17)16(4)9(2)10-6-13-15(3)7-10/h6-9,11H,5H2,1-4H3,(H,14,17)
InChIKeyNAYGGMPAALJHBR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.53
Rot. Bonds3

About 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 136520928) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID136520928
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC1CC1NC(=O)N(C)C(C)c1cnn(C)c1
InChIInChI=1S/C12H20N4O/c1-8-5-11(8)14-12(17)16(4)9(2)10-6-13-15(3)7-10/h6-9,11H,5H2,1-4H3,(H,14,17)
InChIKeyNAYGGMPAALJHBR-UHFFFAOYSA-N
XLogP1.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]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-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
N-butyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 4121012
3-Cyclopentyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 38162034
N-cyclohexyl-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 841979
N-Cyclohexyl-N'-[(1-methyl-1H-pyrazol-4-YL)methyl]urea
CID 2932925
1-Methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 45860366
1-(2-Methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 91661487
3-Ethyl-1-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 132284094
N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 164639213
(2S)-2-(difluoromethyl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 138009943
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 45831990
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252684

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 136520928) is 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea is CC1CC1NC(=O)N(C)C(C)c1cnn(C)c1.
What is the InChIKey of 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is NAYGGMPAALJHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-11(8)14-12(17)16(4)9(2)10-6-13-15(3)7-10/h6-9,11H,5H2,1-4H3,(H,14,17).
What are the key properties of 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 236.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylcyclopropyl)-1-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 136520928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).