1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea

C15H20N4OS — CID 2140186

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H20N4OS/c1-4-10-16-15(21)17-13-11(2)18(3)19(14(13)20)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H2,16,17,21)
InChIKeyJCZYBIHMTZZCBJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.18
Rot. Bonds4

About 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea (PubChem CID 2140186) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea
PubChem CID2140186
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H20N4OS/c1-4-10-16-15(21)17-13-11(2)18(3)19(14(13)20)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H2,16,17,21)
InChIKeyJCZYBIHMTZZCBJ-UHFFFAOYSA-N
XLogP2.18
TPSA50.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Aminoantipyrine
CID 2151
Methylaminoantipyrine
CID 10618
Ramifenazone
CID 5037
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
Phenylthiohydantoin
CID 700731
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(dimethylamino)propanamide
CID 107150
Ramifenazone hydrochloride
CID 83592
1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 2211632
2-Butenenitrile, 3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-ylamino)-
CID 5364915
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylurea
CID 735751
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 797020

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea (CID 2140186) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea is CCCNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea?
The InChIKey is JCZYBIHMTZZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-10-16-15(21)17-13-11(2)18(3)19(14(13)20)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H2,16,17,21).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea has a molecular weight of 304.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-propylthiourea is sourced from PubChem (CID 2140186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).