1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea

C20H23N5O2 — CID 45249374

IUPAC1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C20H23N5O2/c1-13-8-9-18(27-4)17(11-13)24-20(26)23-14(2)16-12-22-25(15(16)3)19-7-5-6-10-21-19/h5-12,14H,1-4H3,(H2,23,24,26)
InChIKeyOCLPQNRVGHYMKL-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea

1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea (PubChem CID 45249374) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea
PubChem CID45249374
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C20H23N5O2/c1-13-8-9-18(27-4)17(11-13)24-20(26)23-14(2)16-12-22-25(15(16)3)19-7-5-6-10-21-19/h5-12,14H,1-4H3,(H2,23,24,26)
InChIKeyOCLPQNRVGHYMKL-UHFFFAOYSA-N
XLogP3.78
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426792
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137
N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17447434
6-methyl-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 42533149
5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 42521314
1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 38221139
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 17181700
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide
CID 45228613
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 45169167
N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 61271924
2-methyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea (CID 45249374) is 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea is COc1ccc(C)cc1NC(=O)NC(C)c1cnn(-c2ccccn2)c1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea?
The InChIKey is OCLPQNRVGHYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-8-9-18(27-4)17(11-13)24-20(26)23-14(2)16-12-22-25(15(16)3)19-7-5-6-10-21-19/h5-12,14H,1-4H3,(H2,23,24,26).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea has a molecular weight of 365.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 45249374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).