N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C15H22N4O4S — CID 95137597

IUPACN-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCS(=O)(=O)[C@H](C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1
InChIInChI=1S/C15H22N4O4S/c1-3-24(22,23)10(2)15(21)18-6-7-19-12(9-18)8-13(17-19)14(20)16-11-4-5-11/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyBBVAMYSACLVXRQ-SNVBAGLBSA-N
MW354.43 g/mol
LogP-0.06
Rot. Bonds5

About N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 95137597) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID95137597
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC NameN-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCS(=O)(=O)[C@H](C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1
InChIInChI=1S/C15H22N4O4S/c1-3-24(22,23)10(2)15(21)18-6-7-19-12(9-18)8-13(17-19)14(20)16-11-4-5-11/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyBBVAMYSACLVXRQ-SNVBAGLBSA-N
XLogP-0.06
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95136435
5-[2-(4-chlorophenyl)-2-hydroxyacetyl]-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50975004
methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 95123709
N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56745014
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256
N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510
N-cyclopropyl-5-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50982573
N-cyclopropyl-3-[5-(2-ethoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72845562
N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95204473
N-phenyl-5-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50958777
5-(2-aminopyrimidin-4-yl)-N-cyclopropyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56759126
N-cyclopentyl-3-[5-(pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72871966

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 95137597) is N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CCS(=O)(=O)[C@H](C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1.
What is the InChIKey of N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is BBVAMYSACLVXRQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-3-24(22,23)10(2)15(21)18-6-7-19-12(9-18)8-13(17-19)14(20)16-11-4-5-11/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)/t10-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-2-ethylsulfonylpropanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95137597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).