N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C21H27N3O — CID 3262065

IUPACN-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccccc1C1c2cccn2CCN1C(=O)NC1CCCCC1
InChIInChI=1S/C21H27N3O/c1-16-8-5-6-11-18(16)20-19-12-7-13-23(19)14-15-24(20)21(25)22-17-9-3-2-4-10-17/h5-8,11-13,17,20H,2-4,9-10,14-15H2,1H3,(H,22,25)
InChIKeyRTBVWMGUOIIQMP-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.24
Rot. Bonds2

About N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 3262065) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID3262065
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccccc1C1c2cccn2CCN1C(=O)NC1CCCCC1
InChIInChI=1S/C21H27N3O/c1-16-8-5-6-11-18(16)20-19-12-7-13-23(19)14-15-24(20)21(25)22-17-9-3-2-4-10-17/h5-8,11-13,17,20H,2-4,9-10,14-15H2,1H3,(H,22,25)
InChIKeyRTBVWMGUOIIQMP-UHFFFAOYSA-N
XLogP4.24
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-N-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42812236
(4S)-N-cyclopentyl-4-(2-methylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92748747
(1R)-1-(2-methylphenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92949505
(1R)-N-cyclohexyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387630
N-cyclohexyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580594
(2-methylphenyl)-[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859416
N-(2-ethylphenyl)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 5076288
[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone
CID 92955733
[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
CID 42782432
4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide
CID 93143075
N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3425391
(1R)-N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387439

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 3262065) is N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccccc1C1c2cccn2CCN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is RTBVWMGUOIIQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-8-5-6-11-18(16)20-19-12-7-13-23(19)14-15-24(20)21(25)22-17-9-3-2-4-10-17/h5-8,11-13,17,20H,2-4,9-10,14-15H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 3262065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).