1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

C20H28N4O3 — CID 97278335

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCCn1nc(C)c(CNC(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1C
InChIInChI=1S/C20H28N4O3/c1-4-24-15(3)17(14(2)23-24)12-21-20(25)22-18-9-5-6-10-19(18)27-13-16-8-7-11-26-16/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H2,21,22,25)/t16-/m0/s1
InChIKeyJDRVYHWRSXIVGV-INIZCTEOSA-N
MW372.47 g/mol
LogP3.40
Rot. Bonds7

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (PubChem CID 97278335) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
PubChem CID97278335
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCCn1nc(C)c(CNC(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1C
InChIInChI=1S/C20H28N4O3/c1-4-24-15(3)17(14(2)23-24)12-21-20(25)22-18-9-5-6-10-19(18)27-13-16-8-7-11-26-16/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H2,21,22,25)/t16-/m0/s1
InChIKeyJDRVYHWRSXIVGV-INIZCTEOSA-N
XLogP3.40
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]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-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
CID 20964116
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 125172398
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 54787347
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 131919040
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (CID 97278335) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is CCn1nc(C)c(CNC(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The InChIKey is JDRVYHWRSXIVGV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-24-15(3)17(14(2)23-24)12-21-20(25)22-18-9-5-6-10-19(18)27-13-16-8-7-11-26-16/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H2,21,22,25)/t16-/m0/s1.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea has a molecular weight of 372.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 97278335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).