1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea

C19H21N5O — CID 11809822

IUPAC1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccncc2)n1
InChIInChI=1S/C19H21N5O/c1-19(2,3)16-13-17(24(23-16)15-9-11-20-12-10-15)22-18(25)21-14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,21,22,25)
InChIKeyFZAUNVRSNYGSRM-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea

1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea (PubChem CID 11809822) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea
PubChem CID11809822
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccncc2)n1
InChIInChI=1S/C19H21N5O/c1-19(2,3)16-13-17(24(23-16)15-9-11-20-12-10-15)22-18(25)21-14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,21,22,25)
InChIKeyFZAUNVRSNYGSRM-UHFFFAOYSA-N
XLogP4.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
1-(3-Tert-Butyl-1-Methyl-1h-Pyrazol-5-Yl)-3-[4-(Pyridin-4-Ylsulfanyl)phenyl]urea
CID 17941451
N,N-bis(5-pyrazoyl)urea derivative 1
CID 90168931
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
1-{4-[(6-Aminoquinolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(3-Methylphenyl)-1h-Pyrazol-5-Yl]urea
CID 44462686
1-{3-[(6-Aminoquinolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]urea
CID 44462687

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea?
The IUPAC name of 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea (CID 11809822) is 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea?
The canonical SMILES for 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea is CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccncc2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea?
The InChIKey is FZAUNVRSNYGSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-19(2,3)16-13-17(24(23-16)15-9-11-20-12-10-15)22-18(25)21-14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,21,22,25).
What are the key properties of 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea?
1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea has a molecular weight of 335.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-pyridin-4-ylpyrazol-5-yl)-3-phenylurea is sourced from PubChem (CID 11809822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).