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

C21H24N4O2 — CID 121484125

IUPACN-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(C3CCCC3)c2CN1C(=O)Nc1ccc2ccoc2c1
InChIInChI=1S/C21H24N4O2/c1-14-12-25-19(18(11-22-25)15-4-2-3-5-15)13-24(14)21(26)23-17-7-6-16-8-9-27-20(16)10-17/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,26)
InChIKeyMGDYNDFVVRXNTL-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.72
Rot. Bonds2

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

N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484125) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484125
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(C3CCCC3)c2CN1C(=O)Nc1ccc2ccoc2c1
InChIInChI=1S/C21H24N4O2/c1-14-12-25-19(18(11-22-25)15-4-2-3-5-15)13-24(14)21(26)23-17-7-6-16-8-9-27-20(16)10-17/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,26)
InChIKeyMGDYNDFVVRXNTL-UHFFFAOYSA-N
XLogP4.72
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483794
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484126
(3aS,6aR)-2-(1-benzofuran-6-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122094519
(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484191
N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484074
6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484097
(6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484405
(6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 134182887
(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(4-methyl-2-oxo-1,3-oxazinan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 163845619
(6R)-5-N-(3,4-difluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 137452622
N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484605
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166828040

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484125) is N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1Cn2ncc(C3CCCC3)c2CN1C(=O)Nc1ccc2ccoc2c1.
What is the InChIKey of N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is MGDYNDFVVRXNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-12-25-19(18(11-22-25)15-4-2-3-5-15)13-24(14)21(26)23-17-7-6-16-8-9-27-20(16)10-17/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,26).
What are the key properties of N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-6-yl)-3-cyclopentyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).