1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

C20H28N4O2 — CID 43074829

IUPAC1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCc1ccc(-n2ncc(C(C)NC(=O)NC(C)C3CCCO3)c2C)cc1
InChIInChI=1S/C20H28N4O2/c1-13-7-9-17(10-8-13)24-16(4)18(12-21-24)14(2)22-20(25)23-15(3)19-6-5-11-26-19/h7-10,12,14-15,19H,5-6,11H2,1-4H3,(H2,22,23,25)
InChIKeyWCEXMKOZUGIBCH-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.42
Rot. Bonds5

About 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 43074829) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID43074829
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCc1ccc(-n2ncc(C(C)NC(=O)NC(C)C3CCCO3)c2C)cc1
InChIInChI=1S/C20H28N4O2/c1-13-7-9-17(10-8-13)24-16(4)18(12-21-24)14(2)22-20(25)23-15(3)19-6-5-11-26-19/h7-10,12,14-15,19H,5-6,11H2,1-4H3,(H2,22,23,25)
InChIKeyWCEXMKOZUGIBCH-UHFFFAOYSA-N
XLogP3.42
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea with MolForge

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Related Compounds

3-ethoxy-N-[2-(1-phenylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
CID 53562628
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550707
N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 10924643
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801
1-(2-Methoxyethyl)-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]urea
CID 48559874
1-(2-Methoxyethyl)-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea
CID 53551380
1-(2-Morpholin-4-ylethyl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 53554854
2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]morpholine-4-carboxamide
CID 53585531
2,2-dimethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 53610183
1-((1-cyclopentyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl)methyl)-3-(2-methoxyethyl)urea
CID 71797598
1-[5-Methyl-2-(4-methylpyrazol-1-yl)phenyl]-3-(3-methyloxolan-3-yl)urea
CID 71967434
1-Methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(pyridin-4-ylmethyl)urea
CID 71984813

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 43074829) is 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is Cc1ccc(-n2ncc(C(C)NC(=O)NC(C)C3CCCO3)c2C)cc1.
What is the InChIKey of 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is WCEXMKOZUGIBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-7-9-17(10-8-13)24-16(4)18(12-21-24)14(2)22-20(25)23-15(3)19-6-5-11-26-19/h7-10,12,14-15,19H,5-6,11H2,1-4H3,(H2,22,23,25).
What are the key properties of 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 356.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 43074829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).