1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea

C19H24N6O — CID 74233918

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C19H24N6O/c1-19(2,3)17-12-15(22-23-17)13-24(4)18(26)21-14-7-5-8-16(11-14)25-10-6-9-20-25/h5-12H,13H2,1-4H3,(H,21,26)(H,22,23)
InChIKeyVBSWUTIZZDVJGJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.56
Rot. Bonds4

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 74233918) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID74233918
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C19H24N6O/c1-19(2,3)17-12-15(22-23-17)13-24(4)18(26)21-14-7-5-8-16(11-14)25-10-6-9-20-25/h5-12H,13H2,1-4H3,(H,21,26)(H,22,23)
InChIKeyVBSWUTIZZDVJGJ-UHFFFAOYSA-N
XLogP3.56
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-(3-pyrazol-1-ylphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea (CID 74233918) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is VBSWUTIZZDVJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-19(2,3)17-12-15(22-23-17)13-24(4)18(26)21-14-7-5-8-16(11-14)25-10-6-9-20-25/h5-12H,13H2,1-4H3,(H,21,26)(H,22,23).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 352.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 74233918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).