N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C20H27N5O — CID 126426817

IUPACN-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN([C@H]1CCN(Cc3ccccc3)C1)C2
InChIInChI=1S/C20H27N5O/c1-16(26)21-12-18-11-20-15-24(9-10-25(20)22-18)19-7-8-23(14-19)13-17-5-3-2-4-6-17/h2-6,11,19H,7-10,12-15H2,1H3,(H,21,26)/t19-/m0/s1
InChIKeyPMWUXBLELQKVGV-IBGZPJMESA-N
MW353.47 g/mol
LogP1.61
Rot. Bonds5

About N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 126426817) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID126426817
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN([C@H]1CCN(Cc3ccccc3)C1)C2
InChIInChI=1S/C20H27N5O/c1-16(26)21-12-18-11-20-15-24(9-10-25(20)22-18)19-7-8-23(14-19)13-17-5-3-2-4-6-17/h2-6,11,19H,7-10,12-15H2,1H3,(H,21,26)/t19-/m0/s1
InChIKeyPMWUXBLELQKVGV-IBGZPJMESA-N
XLogP1.61
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 126426817) is N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cc2n(n1)CCN([C@H]1CCN(Cc3ccccc3)C1)C2.
What is the InChIKey of N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is PMWUXBLELQKVGV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N5O/c1-16(26)21-12-18-11-20-15-24(9-10-25(20)22-18)19-7-8-23(14-19)13-17-5-3-2-4-6-17/h2-6,11,19H,7-10,12-15H2,1H3,(H,21,26)/t19-/m0/s1.
What are the key properties of N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3S)-1-benzylpyrrolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 126426817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).