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

C15H21N5O3 — CID 19622483

IUPAC1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCCn1cc(C(C)NC(=O)C(C)n2cc(C(=O)O)cn2)c(C)n1
InChIInChI=1S/C15H21N5O3/c1-5-19-8-13(10(3)18-19)9(2)17-14(21)11(4)20-7-12(6-16-20)15(22)23/h6-9,11H,5H2,1-4H3,(H,17,21)(H,22,23)
InChIKeyUSOYRIFEGBUUDN-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.54
Rot. Bonds6

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

1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (PubChem CID 19622483) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
PubChem CID19622483
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCCn1cc(C(C)NC(=O)C(C)n2cc(C(=O)O)cn2)c(C)n1
InChIInChI=1S/C15H21N5O3/c1-5-19-8-13(10(3)18-19)9(2)17-14(21)11(4)20-7-12(6-16-20)15(22)23/h6-9,11H,5H2,1-4H3,(H,17,21)(H,22,23)
InChIKeyUSOYRIFEGBUUDN-UHFFFAOYSA-N
XLogP1.54
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 17020935
2-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489660
1-[1-oxo-1-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-yl]pyrazole-4-carboxylic acid
CID 19504978
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
1-[1-[1-(4-tert-butylphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505011
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19466719
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505031
1-butyl-3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]urea
CID 19414910
3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19624001
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534375
1-[1-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19471051
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (CID 19622483) is 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is CCn1cc(C(C)NC(=O)C(C)n2cc(C(=O)O)cn2)c(C)n1.
What is the InChIKey of 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is USOYRIFEGBUUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-5-19-8-13(10(3)18-19)9(2)17-14(21)11(4)20-7-12(6-16-20)15(22)23/h6-9,11H,5H2,1-4H3,(H,17,21)(H,22,23).
What are the key properties of 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 319.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).