2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid

C16H16N4O3S — CID 66819117

IUPAC2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCCNC(=O)O)cc12
InChIInChI=1S/C16H16N4O3S/c1-10-12-9-13(14(21)17-7-8-18-16(22)23)24-15(12)20(19-10)11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3,(H,17,21)(H,22,23)
InChIKeyWTSNHNGEEDUBEO-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.39
Rot. Bonds5

About 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid

2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid (PubChem CID 66819117) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
PubChem CID66819117
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCCNC(=O)O)cc12
InChIInChI=1S/C16H16N4O3S/c1-10-12-9-13(14(21)17-7-8-18-16(22)23)24-15(12)20(19-10)11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3,(H,17,21)(H,22,23)
InChIKeyWTSNHNGEEDUBEO-UHFFFAOYSA-N
XLogP2.39
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119505833
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium
CID 9315070
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27744208
N-[(2-fluorophenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9107251
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2355904
N-(3-butoxypropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27682809
3-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 37394030
3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119445953

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid?
The IUPAC name of 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid (CID 66819117) is 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid is Cc1nn(-c2ccccc2)c2sc(C(=O)NCCNC(=O)O)cc12.
What is the InChIKey of 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid?
The InChIKey is WTSNHNGEEDUBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-12-9-13(14(21)17-7-8-18-16(22)23)24-15(12)20(19-10)11-5-3-2-4-6-11/h2-6,9,18H,7-8H2,1H3,(H,17,21)(H,22,23).
What are the key properties of 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid?
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid has a molecular weight of 344.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid is sourced from PubChem (CID 66819117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).