1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea

C20H22N4O2 — CID 153390147

IUPAC1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea
SMILESCCOCc1ccc(NC(=O)Nc2c(-c3ccccc3)n[nH]c2C)cc1
InChIInChI=1S/C20H22N4O2/c1-3-26-13-15-9-11-17(12-10-15)21-20(25)22-18-14(2)23-24-19(18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyGOHFOJXCSKCUPD-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.57
Rot. Bonds6

About 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea

1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea (PubChem CID 153390147) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea
PubChem CID153390147
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea
SMILESCCOCc1ccc(NC(=O)Nc2c(-c3ccccc3)n[nH]c2C)cc1
InChIInChI=1S/C20H22N4O2/c1-3-26-13-15-9-11-17(12-10-15)21-20(25)22-18-14(2)23-24-19(18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyGOHFOJXCSKCUPD-UHFFFAOYSA-N
XLogP4.57
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
CID 10846347
1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
CID 42687470
benzyl N-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]carbamate
CID 42685853
1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
CID 42687523
1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 90937167
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
CID 122159595
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
1-[4-(ethoxymethyl)phenyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111573311
2-amino-N-[4-(ethoxymethyl)phenyl]acetamide
CID 119340719
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)quinoxaline-2-carboxamide
CID 71418294

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea (CID 153390147) is 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea is CCOCc1ccc(NC(=O)Nc2c(-c3ccccc3)n[nH]c2C)cc1.
What is the InChIKey of 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea?
The InChIKey is GOHFOJXCSKCUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-26-13-15-9-11-17(12-10-15)21-20(25)22-18-14(2)23-24-19(18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea?
1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea has a molecular weight of 350.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 153390147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).