1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea

C22H26N4O2 — CID 56554558

IUPAC1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
SMILESCc1ccnn1-c1cccc(NC(=O)NCc2ccc(COC(C)C)cc2)c1
InChIInChI=1S/C22H26N4O2/c1-16(2)28-15-19-9-7-18(8-10-19)14-23-22(27)25-20-5-4-6-21(13-20)26-17(3)11-12-24-26/h4-13,16H,14-15H2,1-3H3,(H2,23,25,27)
InChIKeyQUVQHLZZHTWRPS-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.43
Rot. Bonds7

About 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea

1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea (PubChem CID 56554558) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
PubChem CID56554558
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
SMILESCc1ccnn1-c1cccc(NC(=O)NCc2ccc(COC(C)C)cc2)c1
InChIInChI=1S/C22H26N4O2/c1-16(2)28-15-19-9-7-18(8-10-19)14-23-22(27)25-20-5-4-6-21(13-20)26-17(3)11-12-24-26/h4-13,16H,14-15H2,1-3H3,(H2,23,25,27)
InChIKeyQUVQHLZZHTWRPS-UHFFFAOYSA-N
XLogP4.43
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
CID 56554656
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56554495
1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56827020
1-[3-(4-fluorophenyl)sulfanylpropyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56554465
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56554718
4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 51101782
2-(diethylamino)-N-[3-(5-methylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56538997
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 78891330
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea (CID 56554558) is 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea is Cc1ccnn1-c1cccc(NC(=O)NCc2ccc(COC(C)C)cc2)c1.
What is the InChIKey of 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea?
The InChIKey is QUVQHLZZHTWRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(2)28-15-19-9-7-18(8-10-19)14-23-22(27)25-20-5-4-6-21(13-20)26-17(3)11-12-24-26/h4-13,16H,14-15H2,1-3H3,(H2,23,25,27).
What are the key properties of 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea?
1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea has a molecular weight of 378.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 56554558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).