1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea

C18H19N5OS — CID 166185325

IUPAC1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea
SMILESCC(C)Oc1ccc(NC(=S)Nc2cnn(-c3ccncc3)c2)cc1
InChIInChI=1S/C18H19N5OS/c1-13(2)24-17-5-3-14(4-6-17)21-18(25)22-15-11-20-23(12-15)16-7-9-19-10-8-16/h3-13H,1-2H3,(H2,21,22,25)
InChIKeyYMCZWIQGERAEQE-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea

1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea (PubChem CID 166185325) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea
PubChem CID166185325
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea
SMILESCC(C)Oc1ccc(NC(=S)Nc2cnn(-c3ccncc3)c2)cc1
InChIInChI=1S/C18H19N5OS/c1-13(2)24-17-5-3-14(4-6-17)21-18(25)22-15-11-20-23(12-15)16-7-9-19-10-8-16/h3-13H,1-2H3,(H2,21,22,25)
InChIKeyYMCZWIQGERAEQE-UHFFFAOYSA-N
XLogP3.86
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethyl)thiourea
CID 58752930
1-methyl-3-(4-propan-2-yloxyphenyl)thiourea
CID 59748887
1-(4-methoxyphenyl)-3-pyridin-4-ylthiourea
CID 12969522
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
2,2,2-trifluoro-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470975
6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472224
(4-propan-2-yloxyphenyl)thiourea;hydrochloride
CID 139878067
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656
4-propan-2-yloxypyridine
CID 4527576
1-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)thiourea
CID 133197037
4-amino-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81235962

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea (CID 166185325) is 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea is CC(C)Oc1ccc(NC(=S)Nc2cnn(-c3ccncc3)c2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea?
The InChIKey is YMCZWIQGERAEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-13(2)24-17-5-3-14(4-6-17)21-18(25)22-15-11-20-23(12-15)16-7-9-19-10-8-16/h3-13H,1-2H3,(H2,21,22,25).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea?
1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea has a molecular weight of 353.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-3-(1-pyridin-4-ylpyrazol-4-yl)thiourea is sourced from PubChem (CID 166185325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).