1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea

C20H22N4O — CID 770920

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-20(2,3)17-14-18(24(23-17)16-12-8-5-9-13-16)22-19(25)21-15-10-6-4-7-11-15/h4-14H,1-3H3,(H2,21,22,25)
InChIKeyHPLMNCNOXZFBBD-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.81
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea (PubChem CID 770920) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea
PubChem CID770920
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-20(2,3)17-14-18(24(23-17)16-12-8-5-9-13-16)22-19(25)21-15-10-6-4-7-11-15/h4-14H,1-3H3,(H2,21,22,25)
InChIKeyHPLMNCNOXZFBBD-UHFFFAOYSA-N
XLogP4.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.81
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-phenylurea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea (CID 770920) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea is CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea?
The InChIKey is HPLMNCNOXZFBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2,3)17-14-18(24(23-17)16-12-8-5-9-13-16)22-19(25)21-15-10-6-4-7-11-15/h4-14H,1-3H3,(H2,21,22,25).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-phenylurea has a molecular weight of 334.42 g/mol, XLogP of 4.81, 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-phenylurea is sourced from PubChem (CID 770920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).