1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea

C22H26N4O — CID 10893814

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1C
InChIInChI=1S/C22H26N4O/c1-15-10-9-13-18(16(15)2)23-21(27)24-20-14-19(22(3,4)5)25-26(20)17-11-7-6-8-12-17/h6-14H,1-5H3,(H2,23,24,27)
InChIKeyZVXGJXOOHDCIBO-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.43
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea (PubChem CID 10893814) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea
PubChem CID10893814
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1C
InChIInChI=1S/C22H26N4O/c1-15-10-9-13-18(16(15)2)23-21(27)24-20-14-19(22(3,4)5)25-26(20)17-11-7-6-8-12-17/h6-14H,1-5H3,(H2,23,24,27)
InChIKeyZVXGJXOOHDCIBO-UHFFFAOYSA-N
XLogP5.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10915062
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CID 25174101
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CID 2517678
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CID 2810695
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CID 10871761
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CID 25210519
CID 25210519

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea (CID 10893814) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea is Cc1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1C.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea?
The InChIKey is ZVXGJXOOHDCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-10-9-13-18(16(15)2)23-21(27)24-20-14-19(22(3,4)5)25-26(20)17-11-7-6-8-12-17/h6-14H,1-5H3,(H2,23,24,27).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2,3-dimethylphenyl)urea has a molecular weight of 362.48 g/mol, XLogP of 5.43, 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-dimethylphenyl)urea is sourced from PubChem (CID 10893814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).