N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide

C20H23N5O — CID 91920575

IUPACN-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2Cn3cccc3CN2Cc2ccccc2)n[nH]1
InChIInChI=1S/C20H23N5O/c1-15-10-19(23-22-15)20(26)21-11-18-14-24-9-5-8-17(24)13-25(18)12-16-6-3-2-4-7-16/h2-10,18H,11-14H2,1H3,(H,21,26)(H,22,23)
InChIKeyQBZJNWNKFGWLLC-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 91920575) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID91920575
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2Cn3cccc3CN2Cc2ccccc2)n[nH]1
InChIInChI=1S/C20H23N5O/c1-15-10-19(23-22-15)20(26)21-11-18-14-24-9-5-8-17(24)13-25(18)12-16-6-3-2-4-7-16/h2-10,18H,11-14H2,1H3,(H,21,26)(H,22,23)
InChIKeyQBZJNWNKFGWLLC-UHFFFAOYSA-N
XLogP2.33
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 91920575) is N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2Cn3cccc3CN2Cc2ccccc2)n[nH]1.
What is the InChIKey of N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QBZJNWNKFGWLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-10-19(23-22-15)20(26)21-11-18-14-24-9-5-8-17(24)13-25(18)12-16-6-3-2-4-7-16/h2-10,18H,11-14H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91920575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).