N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C19H19N5O2 — CID 91909626

IUPACN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN1C(=O)c2cccn2CC1CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H19N5O2/c1-23-14(12-24-9-5-8-17(24)19(23)26)11-20-18(25)16-10-15(21-22-16)13-6-3-2-4-7-13/h2-10,14H,11-12H2,1H3,(H,20,25)(H,21,22)
InChIKeyVGPVFYQJCHWXTK-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.76
Rot. Bonds4

About N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 91909626) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID91909626
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN1C(=O)c2cccn2CC1CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H19N5O2/c1-23-14(12-24-9-5-8-17(24)19(23)26)11-20-18(25)16-10-15(21-22-16)13-6-3-2-4-7-13/h2-10,14H,11-12H2,1H3,(H,20,25)(H,21,22)
InChIKeyVGPVFYQJCHWXTK-UHFFFAOYSA-N
XLogP1.76
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide
CID 91909656
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CID 57383897
3-(1-methylpyrrol-2-yl)-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97149838
(3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 99727924
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
4-fluoro-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide
CID 91920413
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
2-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzamide
CID 91909710
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 91909626) is N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is CN1C(=O)c2cccn2CC1CNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is VGPVFYQJCHWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23-14(12-24-9-5-8-17(24)19(23)26)11-20-18(25)16-10-15(21-22-16)13-6-3-2-4-7-13/h2-10,14H,11-12H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91909626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).