N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide

C14H19N7O2S — CID 70766230

IUPACN-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C14H19N7O2S/c1-9-12(24-18-16-9)13(22)15-7-10-6-11-8-20(14(23)19(2)3)4-5-21(11)17-10/h6H,4-5,7-8H2,1-3H3,(H,15,22)
InChIKeyBMQMLGXPVGMBCT-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.47
Rot. Bonds3

About N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide

N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 70766230) has the molecular formula C14H19N7O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID70766230
Molecular FormulaC14H19N7O2S
Molecular Weight349.42 g/mol
Exact Mass349.13
IUPAC NameN-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C14H19N7O2S/c1-9-12(24-18-16-9)13(22)15-7-10-6-11-8-20(14(23)19(2)3)4-5-21(11)17-10/h6H,4-5,7-8H2,1-3H3,(H,15,22)
InChIKeyBMQMLGXPVGMBCT-UHFFFAOYSA-N
XLogP0.47
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 70720408
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72937666
N,N-dimethyl-2-[(3-methylsulfanylpropanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70780461
2-[[(4-ethoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70713260
2-[(hex-3-enoylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 91940678
2-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70752023
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]quinoline-6-carboxamide
CID 72888278
2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72864338
2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70744255
4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 118773964
2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 96574599

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide (CID 70766230) is N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is BMQMLGXPVGMBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2S/c1-9-12(24-18-16-9)13(22)15-7-10-6-11-8-20(14(23)19(2)3)4-5-21(11)17-10/h6H,4-5,7-8H2,1-3H3,(H,15,22).
What are the key properties of N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide?
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 70766230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).