1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide

C16H23N5O2S — CID 119473685

IUPAC1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NC(C)C(=O)N3CCNCC3C)cc12
InChIInChI=1S/C16H23N5O2S/c1-9-8-17-5-6-21(9)15(23)11(3)18-14(22)13-7-12-10(2)19-20(4)16(12)24-13/h7,9,11,17H,5-6,8H2,1-4H3,(H,18,22)
InChIKeyFTZNZIHHDHLDGE-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.88
Rot. Bonds3

About 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119473685) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119473685
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NC(C)C(=O)N3CCNCC3C)cc12
InChIInChI=1S/C16H23N5O2S/c1-9-8-17-5-6-21(9)15(23)11(3)18-14(22)13-7-12-10(2)19-20(4)16(12)24-13/h7,9,11,17H,5-6,8H2,1-4H3,(H,18,22)
InChIKeyFTZNZIHHDHLDGE-UHFFFAOYSA-N
XLogP0.88
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958
(2R)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoic acid
CID 54990433
1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119652255
2-[1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoyl]piperidin-4-yl]acetic acid
CID 119178628
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-(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
1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120957719
1,3-dimethyl-N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119547059
2-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]acetic acid
CID 119171583
2-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119212029
1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 119176695
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 98614377

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide (CID 119473685) is 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NC(C)C(=O)N3CCNCC3C)cc12.
What is the InChIKey of 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FTZNZIHHDHLDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-9-8-17-5-6-21(9)15(23)11(3)18-14(22)13-7-12-10(2)19-20(4)16(12)24-13/h7,9,11,17H,5-6,8H2,1-4H3,(H,18,22).
What are the key properties of 1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 0.88, 3 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-methylpiperazin-1-yl)-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119473685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).