1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea

C19H21N5O2 — CID 25019503

IUPAC1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ccncc3)c2)n[nH]1
InChIInChI=1S/C19H21N5O2/c1-19(2,3)16-12-17(24-23-16)22-18(25)21-13-5-4-6-15(11-13)26-14-7-9-20-10-8-14/h4-12H,1-3H3,(H3,21,22,23,24,25)
InChIKeyPXMZWZHOSUYALM-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.54
Rot. Bonds4

About 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea

1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea (PubChem CID 25019503) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea
PubChem CID25019503
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ccncc3)c2)n[nH]1
InChIInChI=1S/C19H21N5O2/c1-19(2,3)16-12-17(24-23-16)22-18(25)21-13-5-4-6-15(11-13)26-14-7-9-20-10-8-14/h4-12H,1-3H3,(H3,21,22,23,24,25)
InChIKeyPXMZWZHOSUYALM-UHFFFAOYSA-N
XLogP4.54
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Mapk13-IN-1
CID 17941505
1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(3-((pyridin-3-yloxy)methyl)-1H-pyrazol-5-yl)urea
CID 25203958
N-(4-{[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl}phenyl)acetamide
CID 11785059
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethoxy)-phenyl]-urea
CID 17941464
1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44132534
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44133911
1-(3-Tert-butyl-1-propylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 46197658
1-(3-Tert-butyl-1-methylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 46197769
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 46197773
1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 46900425
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 46900426
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(2-methyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 46900427

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea (CID 25019503) is 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ccncc3)c2)n[nH]1.
What is the InChIKey of 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea?
The InChIKey is PXMZWZHOSUYALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-19(2,3)16-12-17(24-23-16)22-18(25)21-13-5-4-6-15(11-13)26-14-7-9-20-10-8-14/h4-12H,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea?
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea has a molecular weight of 351.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 25019503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).