N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C20H20N4O3 — CID 131693071

IUPACN-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCc1c(C(=O)N2Cc3ccnn3C(C(=O)NC3CC3)C2)oc2ccccc12
InChIInChI=1S/C20H20N4O3/c1-12-15-4-2-3-5-17(15)27-18(12)20(26)23-10-14-8-9-21-24(14)16(11-23)19(25)22-13-6-7-13/h2-5,8-9,13,16H,6-7,10-11H2,1H3,(H,22,25)
InChIKeyATESFYJXMVPWPN-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.41
Rot. Bonds3

About N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131693071) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131693071
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCc1c(C(=O)N2Cc3ccnn3C(C(=O)NC3CC3)C2)oc2ccccc12
InChIInChI=1S/C20H20N4O3/c1-12-15-4-2-3-5-17(15)27-18(12)20(26)23-10-14-8-9-21-24(14)16(11-23)19(25)22-13-6-7-13/h2-5,8-9,13,16H,6-7,10-11H2,1H3,(H,22,25)
InChIKeyATESFYJXMVPWPN-UHFFFAOYSA-N
XLogP2.41
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693135
N-cyclopentyl-5-(3-methylfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693042
5-butanoyl-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693163
1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 131693666
N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 58465633
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
[7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 131693821
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131693071) is N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is Cc1c(C(=O)N2Cc3ccnn3C(C(=O)NC3CC3)C2)oc2ccccc12.
What is the InChIKey of N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is ATESFYJXMVPWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-15-4-2-3-5-17(15)27-18(12)20(26)23-10-14-8-9-21-24(14)16(11-23)19(25)22-13-6-7-13/h2-5,8-9,13,16H,6-7,10-11H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131693071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).