1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide

C15H21N5O3S — CID 124820223

IUPAC1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC[C@H]1CN(S(C)(=O)=O)Cc2ccnn21
InChIInChI=1S/C15H21N5O3S/c1-18-9-3-4-14(18)15(21)16-7-5-12-10-19(24(2,22)23)11-13-6-8-17-20(12)13/h3-4,6,8-9,12H,5,7,10-11H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeySQHSZBNPKNRYKT-LBPRGKRZSA-N
MW351.43 g/mol
LogP0.36
Rot. Bonds5

About 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide

1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 124820223) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide
PubChem CID124820223
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC[C@H]1CN(S(C)(=O)=O)Cc2ccnn21
InChIInChI=1S/C15H21N5O3S/c1-18-9-3-4-14(18)15(21)16-7-5-12-10-19(24(2,22)23)11-13-6-8-17-20(12)13/h3-4,6,8-9,12H,5,7,10-11H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeySQHSZBNPKNRYKT-LBPRGKRZSA-N
XLogP0.36
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(7S)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124818888
N-[2-[(7R)-5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124813571
1-methyl-N-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861974
N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 131678503
2-cyclopropyl-N-[[(7R)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
CID 124782001
2-methyl-N-[2-[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrazole-3-carboxamide
CID 131677911
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]pyridine-3-carboxamide
CID 131677870
5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678549
N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131645192
N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide
CID 131659331
N-[[(7R)-5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124820243
(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781899

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide (CID 124820223) is 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCC[C@H]1CN(S(C)(=O)=O)Cc2ccnn21.
What is the InChIKey of 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is SQHSZBNPKNRYKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-18-9-3-4-14(18)15(21)16-7-5-12-10-19(24(2,22)23)11-13-6-8-17-20(12)13/h3-4,6,8-9,12H,5,7,10-11H2,1-2H3,(H,16,21)/t12-/m0/s1.
What are the key properties of 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide?
1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 124820223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).