1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea

C23H26N4O — CID 10981639

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)NC2Cc3ccccc3C2)n(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-23(2,3)20-15-21(27(26-20)19-11-5-4-6-12-19)25-22(28)24-18-13-16-9-7-8-10-17(16)14-18/h4-12,15,18H,13-14H2,1-3H3,(H2,24,25,28)
InChIKeyGZGYXKHNMJBZKD-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.46
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea (PubChem CID 10981639) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea
PubChem CID10981639
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)NC2Cc3ccccc3C2)n(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-23(2,3)20-15-21(27(26-20)19-11-5-4-6-12-19)25-22(28)24-18-13-16-9-7-8-10-17(16)14-18/h4-12,15,18H,13-14H2,1-3H3,(H2,24,25,28)
InChIKeyGZGYXKHNMJBZKD-UHFFFAOYSA-N
XLogP4.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea (CID 10981639) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea is CC(C)(C)c1cc(NC(=O)NC2Cc3ccccc3C2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea?
The InChIKey is GZGYXKHNMJBZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2,3)20-15-21(27(26-20)19-11-5-4-6-12-19)25-22(28)24-18-13-16-9-7-8-10-17(16)14-18/h4-12,15,18H,13-14H2,1-3H3,(H2,24,25,28).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dihydro-1H-inden-2-yl)urea has a molecular weight of 374.49 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 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-(2,3-dihydro-1H-inden-2-yl)urea is sourced from PubChem (CID 10981639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).