1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium

C23H25N5OY-2 — CID 58011144

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2cc[c-]cc2)n1.[CH3-].[Y]
InChIInChI=1S/C22H22N5O.CH3.Y/c1-22(2,3)19-14-20(27(26-19)17-7-5-4-6-8-17)25-21(28)24-16-9-10-18-15(13-16)11-12-23-18;;/h5-14,23H,1-3H3,(H2,24,25,28);1H3;/q2*-1;
InChIKeyCTRZDDDOXJUDFE-UHFFFAOYSA-N
MW476.39 g/mol
LogP5.54
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium (PubChem CID 58011144) has the molecular formula C23H25N5OY-2 and a molecular weight of 476.39 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium
PubChem CID58011144
Molecular FormulaC23H25N5OY-2
Molecular Weight476.39 g/mol
Exact Mass476.11
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2cc[c-]cc2)n1.[CH3-].[Y]
InChIInChI=1S/C22H22N5O.CH3.Y/c1-22(2,3)19-14-20(27(26-19)17-7-5-4-6-8-17)25-21(28)24-16-9-10-18-15(13-16)11-12-23-18;;/h5-14,23H,1-3H3,(H2,24,25,28);1H3;/q2*-1;
InChIKeyCTRZDDDOXJUDFE-UHFFFAOYSA-N
XLogP5.54
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.39
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-[3-tert-butyl-1-[4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea
CID 10074810
1-[3-tert-butyl-1-(4-nitrophenyl)pyrazol-5-yl]-3-(4-chlorophenyl)urea
CID 42730474
1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
CID 58011032
1-[1-(4-aminophenyl)-3-tert-butylpyrazol-5-yl]-3-phenylurea
CID 10871795
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 162645586
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(1H-indol-3-yl)phenyl]urea
CID 141145760
1-[3-tert-butyl-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 141209874
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-pyridin-3-ylphenyl)urea
CID 71695585
1-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-3-(4-chlorophenyl)urea
CID 58851249
1-[3-tert-butyl-1-[4-[(2-methyl-3,4,5-trioxopyrazolidin-1-yl)methyl]phenyl]pyrazol-5-yl]-3-(4-chlorophenyl)urea
CID 10346192
1-[3-tert-butyl-1-[4-(2-methoxyethylamino)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706019
1-[3-tert-butyl-1-[4-(3-hydroxypropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11511705

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium (CID 58011144) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium is CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2cc[c-]cc2)n1.[CH3-].[Y].
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium?
The InChIKey is CTRZDDDOXJUDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N5O.CH3.Y/c1-22(2,3)19-14-20(27(26-19)17-7-5-4-6-8-17)25-21(28)24-16-9-10-18-15(13-16)11-12-23-18;;/h5-14,23H,1-3H3,(H2,24,25,28);1H3;/q2*-1;.
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium has a molecular weight of 476.39 g/mol, XLogP of 5.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(1H-indol-5-yl)urea;carbanide;yttrium is sourced from PubChem (CID 58011144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).