N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H24N4O3S2 — CID 52718736

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)S(C)(=O)=O
InChIInChI=1S/C19H24N4O3S2/c1-4-22(28(3,25)26)12-8-11-20-18(24)17-13-16-14(2)21-23(19(16)27-17)15-9-6-5-7-10-15/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,20,24)
InChIKeyKZJXLHWIDDPFCA-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.80
Rot. Bonds8

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 52718736) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID52718736
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)S(C)(=O)=O
InChIInChI=1S/C19H24N4O3S2/c1-4-22(28(3,25)26)12-8-11-20-18(24)17-13-16-14(2)21-23(19(16)27-17)15-9-6-5-7-10-15/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,20,24)
InChIKeyKZJXLHWIDDPFCA-UHFFFAOYSA-N
XLogP2.80
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
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
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
3-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 37394030
N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119505833
N-(3-butoxypropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27682809
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
[carbamoyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]amino] acetate
CID 89437742
3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119445953
3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55862871

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 52718736) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CCCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is KZJXLHWIDDPFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-4-22(28(3,25)26)12-8-11-20-18(24)17-13-16-14(2)21-23(19(16)27-17)15-9-6-5-7-10-15/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,20,24).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 52718736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).