1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea

C25H32N4O4 — CID 51068718

IUPAC1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea
SMILESCCCNC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1
InChIInChI=1S/C25H32N4O4/c1-5-14-26-25(30)28(15-16-31-3)18-23-19(2)27-29(20-10-7-6-8-11-20)24(23)33-22-13-9-12-21(17-22)32-4/h6-13,17H,5,14-16,18H2,1-4H3,(H,26,30)
InChIKeyGZBUGFMFFRMTBU-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.55
Rot. Bonds11

About 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea

1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea (PubChem CID 51068718) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea
PubChem CID51068718
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea
SMILESCCCNC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1
InChIInChI=1S/C25H32N4O4/c1-5-14-26-25(30)28(15-16-31-3)18-23-19(2)27-29(20-10-7-6-8-11-20)24(23)33-22-13-9-12-21(17-22)32-4/h6-13,17H,5,14-16,18H2,1-4H3,(H,26,30)
InChIKeyGZBUGFMFFRMTBU-UHFFFAOYSA-N
XLogP4.55
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068659
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea
CID 51069588
3-tert-butyl-1-(2-methoxyethyl)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]urea
CID 51069388
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
CID 51069041
N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 51068682
1-(furan-2-ylmethyl)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-propylurea
CID 51069394
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
CID 51069038
N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
CID 51069076
(2R)-1-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol
CID 93218014
2-methoxy-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-N-propylacetamide
CID 42818833
N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 71956977
N-(2-methoxyethyl)-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]acetamide
CID 71956935

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea?
The IUPAC name of 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea (CID 51068718) is 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea?
The canonical SMILES for 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea is CCCNC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1.
What is the InChIKey of 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea?
The InChIKey is GZBUGFMFFRMTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-5-14-26-25(30)28(15-16-31-3)18-23-19(2)27-29(20-10-7-6-8-11-20)24(23)33-22-13-9-12-21(17-22)32-4/h6-13,17H,5,14-16,18H2,1-4H3,(H,26,30).
What are the key properties of 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea?
1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea has a molecular weight of 452.56 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea is sourced from PubChem (CID 51068718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).