N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide

C19H18FN5O2 — CID 72696779

IUPACN-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3cn[nH]c3)cn21)NCc1cccc(F)c1
InChIInChI=1S/C19H18FN5O2/c20-15-3-1-2-12(4-15)7-21-18(26)6-16-10-22-19(27)17-5-13(11-25(16)17)14-8-23-24-9-14/h1-5,8-9,11,16H,6-7,10H2,(H,21,26)(H,22,27)(H,23,24)
InChIKeyMFMLSRTXWSRZJT-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.01
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide

N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide (PubChem CID 72696779) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
PubChem CID72696779
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3cn[nH]c3)cn21)NCc1cccc(F)c1
InChIInChI=1S/C19H18FN5O2/c20-15-3-1-2-12(4-15)7-21-18(26)6-16-10-22-19(27)17-5-13(11-25(16)17)14-8-23-24-9-14/h1-5,8-9,11,16H,6-7,10H2,(H,21,26)(H,22,27)(H,23,24)
InChIKeyMFMLSRTXWSRZJT-UHFFFAOYSA-N
XLogP2.01
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide (CID 72696779) is N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide is O=C(CC1CNC(=O)c2cc(-c3cn[nH]c3)cn21)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The InChIKey is MFMLSRTXWSRZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-15-3-1-2-12(4-15)7-21-18(26)6-16-10-22-19(27)17-5-13(11-25(16)17)14-8-23-24-9-14/h1-5,8-9,11,16H,6-7,10H2,(H,21,26)(H,22,27)(H,23,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide is sourced from PubChem (CID 72696779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).