1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea

C20H20N4OS — CID 71812790

IUPAC1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1
InChIInChI=1S/C20H20N4OS/c1-26-17-9-5-6-15(12-17)21-20(25)22-19-13-18(14-10-11-14)23-24(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H2,21,22,25)
InChIKeyNNVDXVUCNSMWTQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.12
Rot. Bonds5

About 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea

1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 71812790) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea
PubChem CID71812790
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1
InChIInChI=1S/C20H20N4OS/c1-26-17-9-5-6-15(12-17)21-20(25)22-19-13-18(14-10-11-14)23-24(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H2,21,22,25)
InChIKeyNNVDXVUCNSMWTQ-UHFFFAOYSA-N
XLogP5.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.12
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
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 770920
1-[3-(2-Methylbutan-2-yl)-1-phenylpyrazol-5-yl]-3-phenylurea
CID 9841250
1-[1-(4-Aminophenyl)-3-tert-butylpyrazol-5-yl]-3-phenylurea
CID 10871795
1-(3-Aminophenyl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
CID 10882616
1-phenyl-3-[1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 10903293
1-(3-Cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea
CID 11728105
1-(4-Aminophenyl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
CID 11759868
1-[3-(Cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 70789111
1-(3-Fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
CID 70789129
1-[3-(Cyclopropylmethyl)-1-phenylpyrazol-5-yl]-3-(3-methylphenyl)urea
CID 70789144

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea (CID 71812790) is 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1.
What is the InChIKey of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is NNVDXVUCNSMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-26-17-9-5-6-15(12-17)21-20(25)22-19-13-18(14-10-11-14)23-24(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea?
1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 364.47 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 71812790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).