1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C16H23N5O3 — CID 19624363

IUPAC1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCN(Cc1cn(CC)nc1C)C(=O)C(C)n1ccc(C(=O)O)n1
InChIInChI=1S/C16H23N5O3/c1-5-19(9-13-10-20(6-2)17-11(13)3)15(22)12(4)21-8-7-14(18-21)16(23)24/h7-8,10,12H,5-6,9H2,1-4H3,(H,23,24)
InChIKeyVLXSOIFVTKYIDE-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.72
Rot. Bonds7

About 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19624363) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19624363
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCN(Cc1cn(CC)nc1C)C(=O)C(C)n1ccc(C(=O)O)n1
InChIInChI=1S/C16H23N5O3/c1-5-19(9-13-10-20(6-2)17-11(13)3)15(22)12(4)21-8-7-14(18-21)16(23)24/h7-8,10,12H,5-6,9H2,1-4H3,(H,23,24)
InChIKeyVLXSOIFVTKYIDE-UHFFFAOYSA-N
XLogP1.72
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19624363) is 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is CCN(Cc1cn(CC)nc1C)C(=O)C(C)n1ccc(C(=O)O)n1.
What is the InChIKey of 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is VLXSOIFVTKYIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-5-19(9-13-10-20(6-2)17-11(13)3)15(22)12(4)21-8-7-14(18-21)16(23)24/h7-8,10,12H,5-6,9H2,1-4H3,(H,23,24).
What are the key properties of 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19624363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).