4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid

C14H18N4O2 — CID 56866952

IUPAC4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid
SMILESCCC1c2cccn2CCN1Cc1cn[nH]c1C(=O)O
InChIInChI=1S/C14H18N4O2/c1-2-11-12-4-3-5-17(12)6-7-18(11)9-10-8-15-16-13(10)14(19)20/h3-5,8,11H,2,6-7,9H2,1H3,(H,15,16)(H,19,20)
InChIKeyHCMZYZJDVDTKGG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.88
Rot. Bonds4

About 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid

4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 56866952) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID56866952
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid
SMILESCCC1c2cccn2CCN1Cc1cn[nH]c1C(=O)O
InChIInChI=1S/C14H18N4O2/c1-2-11-12-4-3-5-17(12)6-7-18(11)9-10-8-15-16-13(10)14(19)20/h3-5,8,11H,2,6-7,9H2,1H3,(H,15,16)(H,19,20)
InChIKeyHCMZYZJDVDTKGG-UHFFFAOYSA-N
XLogP1.88
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid with MolForge

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Related Compounds

4-[(2-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-pyrazole-5-carboxylic acid
CID 56873635
4-(pyrrolidin-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216590
4-(2,3-dihydroindol-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216569
4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95550862
5-[[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95896871
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
CID 136890699
1-ethyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 59988898
(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 110258799
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 51495389
4-[(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1H-pyrazole-5-carboxylic acid
CID 138386727
1-cyclopropyl-3-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-methylpyridin-2-one
CID 172669006
4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 91775235

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid (CID 56866952) is 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid is CCC1c2cccn2CCN1Cc1cn[nH]c1C(=O)O.
What is the InChIKey of 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is HCMZYZJDVDTKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-11-12-4-3-5-17(12)6-7-18(11)9-10-8-15-16-13(10)14(19)20/h3-5,8,11H,2,6-7,9H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid?
4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 56866952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).