5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C21H24N4O2 — CID 95121007

IUPAC5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESC[C@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H24N4O2/c1-16(20-9-6-12-27-20)23(2)21(26)19-13-18-15-24(10-11-25(18)22-19)14-17-7-4-3-5-8-17/h3-9,12-13,16H,10-11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyHDOGXLBGKMLMRO-MRXNPFEDSA-N
MW364.45 g/mol
LogP3.33
Rot. Bonds5

About 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 95121007) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID95121007
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESC[C@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H24N4O2/c1-16(20-9-6-12-27-20)23(2)21(26)19-13-18-15-24(10-11-25(18)22-19)14-17-7-4-3-5-8-17/h3-9,12-13,16H,10-11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyHDOGXLBGKMLMRO-MRXNPFEDSA-N
XLogP3.33
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 137452745
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CID 56720323
5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 50962804
5-benzyl-N-[1-(hydroxymethyl)cyclopentyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50985031
1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
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(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 95141808
methyl (2S,4R)-1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 50972197
1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90648479
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 67958777
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705
N-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)naphthalene-1-carboxamide
CID 167862401

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 95121007) is 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is C[C@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is HDOGXLBGKMLMRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(20-9-6-12-27-20)23(2)21(26)19-13-18-15-24(10-11-25(18)22-19)14-17-7-4-3-5-8-17/h3-9,12-13,16H,10-11,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95121007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).