1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C17H26ClN5O2S — CID 119652255

IUPAC1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)C(C)NC(=O)c1cc2c(C)nn(C)c2s1.Cl
InChIInChI=1S/C17H25N5O2S.ClH/c1-10-13-8-14(25-17(13)21(4)20-10)15(23)19-11(2)16(24)22-7-5-6-12(22)9-18-3;/h8,11-12,18H,5-7,9H2,1-4H3,(H,19,23);1H
InChIKeyIJFURIQMXDKXOL-UHFFFAOYSA-N
MW399.95 g/mol
LogP1.69
Rot. Bonds5

About 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 119652255) has the molecular formula C17H26ClN5O2S and a molecular weight of 399.95 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID119652255
Molecular FormulaC17H26ClN5O2S
Molecular Weight399.95 g/mol
Exact Mass399.15
IUPAC Name1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)C(C)NC(=O)c1cc2c(C)nn(C)c2s1.Cl
InChIInChI=1S/C17H25N5O2S.ClH/c1-10-13-8-14(25-17(13)21(4)20-10)15(23)19-11(2)16(24)22-7-5-6-12(22)9-18-3;/h8,11-12,18H,5-7,9H2,1-4H3,(H,19,23);1H
InChIKeyIJFURIQMXDKXOL-UHFFFAOYSA-N
XLogP1.69
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119547059
1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119473685
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119639502
(2R)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoic acid
CID 54990433
1,3-dimethyl-N-[(2R)-1-oxo-1-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 99813522
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119639503
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119576045
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119459657
N-(2-amino-1-cyclohexylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119590742
2-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]acetic acid
CID 119171583
N-[1-[3-(aminomethyl)pentan-3-ylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119572119

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 119652255) is 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is CNCC1CCCN1C(=O)C(C)NC(=O)c1cc2c(C)nn(C)c2s1.Cl.
What is the InChIKey of 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is IJFURIQMXDKXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S.ClH/c1-10-13-8-14(25-17(13)21(4)20-10)15(23)19-11(2)16(24)22-7-5-6-12(22)9-18-3;/h8,11-12,18H,5-7,9H2,1-4H3,(H,19,23);1H.
What are the key properties of 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 399.95 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119652255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).