1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea

C16H15N5O2S — CID 86835748

IUPAC1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
SMILESCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C16H15N5O2S/c1-17-16(23)19-18-15(22)12-10-21(11-6-3-2-4-7-11)20-14(12)13-8-5-9-24-13/h2-10H,1H3,(H,18,22)(H2,17,19,23)
InChIKeyAXBNVGLMEJIWFL-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.17
Rot. Bonds3

About 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea

1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea (PubChem CID 86835748) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
PubChem CID86835748
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
SMILESCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C16H15N5O2S/c1-17-16(23)19-18-15(22)12-10-21(11-6-3-2-4-7-11)20-14(12)13-8-5-9-24-13/h2-10H,1H3,(H,18,22)(H2,17,19,23)
InChIKeyAXBNVGLMEJIWFL-UHFFFAOYSA-N
XLogP2.17
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 78813902
N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 27692078
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10021679
N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282155
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 46663736

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea?
The IUPAC name of 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea (CID 86835748) is 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea.
What is the SMILES notation for 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea?
The canonical SMILES for 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea is CNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea?
The InChIKey is AXBNVGLMEJIWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-17-16(23)19-18-15(22)12-10-21(11-6-3-2-4-7-11)20-14(12)13-8-5-9-24-13/h2-10H,1H3,(H,18,22)(H2,17,19,23).
What are the key properties of 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea?
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea has a molecular weight of 341.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea is sourced from PubChem (CID 86835748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).