1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea

C17H26N6O2 — CID 131961800

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea
SMILESCCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C17H26N6O2/c1-4-23-14(7-8-19-23)16-13(6-5-9-25-16)11-18-17(24)20-15-10-12(2)21-22(15)3/h7-8,10,13,16H,4-6,9,11H2,1-3H3,(H2,18,20,24)/t13-,16+/m0/s1
InChIKeyGMICMYIFNXIVQO-XJKSGUPXSA-N
MW346.44 g/mol
LogP2.23
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea (PubChem CID 131961800) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea
PubChem CID131961800
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea
SMILESCCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C17H26N6O2/c1-4-23-14(7-8-19-23)16-13(6-5-9-25-16)11-18-17(24)20-15-10-12(2)21-22(15)3/h7-8,10,13,16H,4-6,9,11H2,1-3H3,(H2,18,20,24)/t13-,16+/m0/s1
InChIKeyGMICMYIFNXIVQO-XJKSGUPXSA-N
XLogP2.23
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]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

N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 167829016
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 167757142
N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
CID 128976188
1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
CID 47198130
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine
CID 167830379
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]urea
CID 126825556
1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea
CID 94078517
2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
CID 127969351
1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
CID 129475840
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
5-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167940033
(3R)-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]thian-3-amine
CID 129343353

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea (CID 131961800) is 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea is CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea?
The InChIKey is GMICMYIFNXIVQO-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-23-14(7-8-19-23)16-13(6-5-9-25-16)11-18-17(24)20-15-10-12(2)21-22(15)3/h7-8,10,13,16H,4-6,9,11H2,1-3H3,(H2,18,20,24)/t13-,16+/m0/s1.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea has a molecular weight of 346.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea is sourced from PubChem (CID 131961800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).