[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid

C22H26N4O3S — CID 89437723

IUPAC[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
InChIInChI=1S/C22H26N4O3S/c1-3-25(22(28)29)16-11-9-15(10-12-16)23-20(27)19-13-18-14(2)24-26(21(18)30-19)17-7-5-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,27)(H,28,29)
InChIKeyVISFBVWEYXPXPK-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.67
Rot. Bonds5

About [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid

[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid (PubChem CID 89437723) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid.

Molecular Properties

Compound Name[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid
PubChem CID89437723
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1
InChIInChI=1S/C22H26N4O3S/c1-3-25(22(28)29)16-11-9-15(10-12-16)23-20(27)19-13-18-14(2)24-26(21(18)30-19)17-7-5-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,27)(H,28,29)
InChIKeyVISFBVWEYXPXPK-UHFFFAOYSA-N
XLogP5.67
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid?
The IUPAC name of [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid (CID 89437723) is [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid.
What is the SMILES notation for [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid?
The canonical SMILES for [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid is CCN(C(=O)O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1.
What is the InChIKey of [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid?
The InChIKey is VISFBVWEYXPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-3-25(22(28)29)16-11-9-15(10-12-16)23-20(27)19-13-18-14(2)24-26(21(18)30-19)17-7-5-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,27)(H,28,29).
What are the key properties of [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid?
[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid has a molecular weight of 426.54 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid is sourced from PubChem (CID 89437723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).