1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C22H24N4O — CID 78879228

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C22H24N4O/c27-22(24-16-18-5-8-19-3-1-4-20(19)15-18)23-13-11-17-6-9-21(10-7-17)26-14-2-12-25-26/h2,5-10,12,14-15H,1,3-4,11,13,16H2,(H2,23,24,27)
InChIKeyMZSYEAHRLWUFTJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.40
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 78879228) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID78879228
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C22H24N4O/c27-22(24-16-18-5-8-19-3-1-4-20(19)15-18)23-13-11-17-6-9-21(10-7-17)26-14-2-12-25-26/h2,5-10,12,14-15H,1,3-4,11,13,16H2,(H2,23,24,27)
InChIKeyMZSYEAHRLWUFTJ-UHFFFAOYSA-N
XLogP3.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 38205059
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 34001762
1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337934
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78871809
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 96569194
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 87007320
1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337933
1-[(1S,3R)-3-(dimethylamino)cyclopentyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 97159323

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 78879228) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is O=C(NCCc1ccc(-n2cccn2)cc1)NCc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is MZSYEAHRLWUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(24-16-18-5-8-19-3-1-4-20(19)15-18)23-13-11-17-6-9-21(10-7-17)26-14-2-12-25-26/h2,5-10,12,14-15H,1,3-4,11,13,16H2,(H2,23,24,27).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 360.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 78879228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).