1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

C21H23N5O3S — CID 26405501

IUPAC1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C21H23N5O3S/c1-29-18-5-3-2-4-17(18)23-21(28)24-19-6-10-22-26(19)16-7-11-25(12-8-16)20(27)15-9-13-30-14-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,23,24,28)
InChIKeyBLVFOGYKOGAIDD-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.07
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 26405501) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID26405501
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C21H23N5O3S/c1-29-18-5-3-2-4-17(18)23-21(28)24-19-6-10-22-26(19)16-7-11-25(12-8-16)20(27)15-9-13-30-14-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,23,24,28)
InChIKeyBLVFOGYKOGAIDD-UHFFFAOYSA-N
XLogP4.07
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-Methoxyphenyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea
CID 2544536
N-(2-methoxyphenyl)-N'-{1-[1-(1,3-thiazol-4-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 24817623
US10577360, Example 104
CID 132036025
US10577360, Example 99
CID 138585078
N-(1-{1-[(5-acetyl-3-thienyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 24817392
US10577360, Example 112
CID 132035763
US10577360, Example 110
CID 132036036
US10577360, Example 14
CID 132036126
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 169552515
N-(2-methoxyphenyl)-N'-{1-[1-(3-pyridinylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 24819333
US10577360, Example 87
CID 132010669
2-[[5-(2-methoxyphenyl)-4-oxo-1H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3593384

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 26405501) is 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is BLVFOGYKOGAIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-29-18-5-3-2-4-17(18)23-21(28)24-19-6-10-22-26(19)16-7-11-25(12-8-16)20(27)15-9-13-30-14-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,23,24,28).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 425.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 26405501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).