1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

C18H23ClN4OS — CID 86892884

IUPAC1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCC(C)Sc1ccc(Cl)cc1NC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C18H23ClN4OS/c1-11(2)25-17-8-7-12(19)9-15(17)22-18(24)21-14-5-4-6-16-13(14)10-20-23(16)3/h7-11,14H,4-6H2,1-3H3,(H2,21,22,24)
InChIKeyBWOQXLUKZUPBDM-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.77
Rot. Bonds4

About 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (PubChem CID 86892884) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
PubChem CID86892884
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCC(C)Sc1ccc(Cl)cc1NC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C18H23ClN4OS/c1-11(2)25-17-8-7-12(19)9-15(17)22-18(24)21-14-5-4-6-16-13(14)10-20-23(16)3/h7-11,14H,4-6H2,1-3H3,(H2,21,22,24)
InChIKeyBWOQXLUKZUPBDM-UHFFFAOYSA-N
XLogP4.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea with MolForge

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Related Compounds

(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 47026059
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 71942472
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731318
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
CID 55809198
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The IUPAC name of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (CID 86892884) is 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The canonical SMILES for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is CC(C)Sc1ccc(Cl)cc1NC(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The InChIKey is BWOQXLUKZUPBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-11(2)25-17-8-7-12(19)9-15(17)22-18(24)21-14-5-4-6-16-13(14)10-20-23(16)3/h7-11,14H,4-6H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea has a molecular weight of 378.93 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is sourced from PubChem (CID 86892884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).