N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C12H18N4O3S — CID 131645192

IUPACN-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCS(=O)(=O)N1Cc2ccnn2C(C(=O)NCC2CC2)C1
InChIInChI=1S/C12H18N4O3S/c1-20(18,19)15-7-10-4-5-14-16(10)11(8-15)12(17)13-6-9-2-3-9/h4-5,9,11H,2-3,6-8H2,1H3,(H,13,17)
InChIKeyZJXHVEXLLYIGML-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.27
Rot. Bonds4

About N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131645192) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131645192
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCS(=O)(=O)N1Cc2ccnn2C(C(=O)NCC2CC2)C1
InChIInChI=1S/C12H18N4O3S/c1-20(18,19)15-7-10-4-5-14-16(10)11(8-15)12(17)13-6-9-2-3-9/h4-5,9,11H,2-3,6-8H2,1H3,(H,13,17)
InChIKeyZJXHVEXLLYIGML-UHFFFAOYSA-N
XLogP-0.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142921
2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
CID 124782001
(7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124782287
5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141619
(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781899
(7S)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781898
1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide
CID 124820223
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
CID 133141737
5-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155864316
(7R)-5-(2-cyclopentylacetyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124800007
N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131648072
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131645192) is N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is CS(=O)(=O)N1Cc2ccnn2C(C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is ZJXHVEXLLYIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-20(18,19)15-7-10-4-5-14-16(10)11(8-15)12(17)13-6-9-2-3-9/h4-5,9,11H,2-3,6-8H2,1H3,(H,13,17).
What are the key properties of N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131645192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).