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

C18H22N4OS — CID 78781187

IUPACN-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCCCN(C)C)cc12
InChIInChI=1S/C18H22N4OS/c1-13-15-12-16(17(23)19-10-7-11-21(2)3)24-18(15)22(20-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,19,23)
InChIKeySQZRGUOAAQIONN-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.08
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 78781187) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID78781187
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCCCN(C)C)cc12
InChIInChI=1S/C18H22N4OS/c1-13-15-12-16(17(23)19-10-7-11-21(2)3)24-18(15)22(20-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,19,23)
InChIKeySQZRGUOAAQIONN-UHFFFAOYSA-N
XLogP3.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
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-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 52718736
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
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
3-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 37394030
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
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
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27744208

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 78781187) is N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NCCCN(C)C)cc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SQZRGUOAAQIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-15-12-16(17(23)19-10-7-11-21(2)3)24-18(15)22(20-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,19,23).
What are the key properties of N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 78781187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).