1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea

C17H22N4O2S — CID 4550397

IUPAC1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1
InChIInChI=1S/C17H22N4O2S/c1-17(2,3)21-15(13-9-24-10-14(13)20-21)19-16(22)18-11-5-7-12(23-4)8-6-11/h5-8H,9-10H2,1-4H3,(H2,18,19,22)
InChIKeyYWTKCVXOBFJPOZ-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.04
Rot. Bonds3

About 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea

1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea (PubChem CID 4550397) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea
PubChem CID4550397
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1
InChIInChI=1S/C17H22N4O2S/c1-17(2,3)21-15(13-9-24-10-14(13)20-21)19-16(22)18-11-5-7-12(23-4)8-6-11/h5-8H,9-10H2,1-4H3,(H2,18,19,22)
InChIKeyYWTKCVXOBFJPOZ-UHFFFAOYSA-N
XLogP4.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7483989
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethoxybenzamide
CID 3632782
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 5067051
N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide
CID 7685459
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121030663
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484286
N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-[2-(diethylamino)ethyl]oxamide
CID 7685489
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
5-chloro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 121030408
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methylthiadiazole-5-carboxamide
CID 121030391
3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 121030397

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea (CID 4550397) is 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1.
What is the InChIKey of 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is YWTKCVXOBFJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-17(2,3)21-15(13-9-24-10-14(13)20-21)19-16(22)18-11-5-7-12(23-4)8-6-11/h5-8H,9-10H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea?
1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 346.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 4550397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).