1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C21H24N4O3 — CID 68521380

IUPAC1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyAVQDXYFGOJTGHH-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.77
Rot. Bonds8

About 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68521380) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68521380
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyAVQDXYFGOJTGHH-UHFFFAOYSA-N
XLogP3.77
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68521380) is 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is AVQDXYFGOJTGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 380.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68521380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).