3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium

C18H22ClN4OS+ — CID 2420928

IUPAC3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCC[NH+](C)C)cc12
InChIInChI=1S/C18H21ClN4OS/c1-12-15-11-16(17(24)20-9-4-10-22(2)3)25-18(15)23(21-12)14-7-5-13(19)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)/p+1
InChIKeyDJRFHZNWKPBVCV-UHFFFAOYSA-O
MW377.92 g/mol
LogP2.31
Rot. Bonds6

About 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium

3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium (PubChem CID 2420928) has the molecular formula C18H22ClN4OS+ and a molecular weight of 377.92 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium
PubChem CID2420928
Molecular FormulaC18H22ClN4OS+
Molecular Weight377.92 g/mol
Exact Mass377.12
IUPAC Name3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCC[NH+](C)C)cc12
InChIInChI=1S/C18H21ClN4OS/c1-12-15-11-16(17(24)20-9-4-10-22(2)3)25-18(15)23(21-12)14-7-5-13(19)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)/p+1
InChIKeyDJRFHZNWKPBVCV-UHFFFAOYSA-O
XLogP2.31
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119408170
N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119498714
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-aminopropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119404788
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
N-(2-acetamidoethyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740679
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
1-(4-chlorophenyl)-3-methyl-N-pentan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 3971166
diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium
CID 9315070
N-(3-ethoxypropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24502697

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium (CID 2420928) is 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCC[NH+](C)C)cc12.
What is the InChIKey of 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium?
The InChIKey is DJRFHZNWKPBVCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21ClN4OS/c1-12-15-11-16(17(24)20-9-4-10-22(2)3)25-18(15)23(21-12)14-7-5-13(19)6-8-14/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)/p+1.
What are the key properties of 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium?
3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium has a molecular weight of 377.92 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 2420928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).