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

C9H14N4O3 — CID 107344274

IUPAC4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCNC(=O)C(C)n1cc(N)c(C(=O)O)n1
InChIInChI=1S/C9H14N4O3/c1-3-11-8(14)5(2)13-4-6(10)7(12-13)9(15)16/h4-5H,3,10H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyQQEUQORJOBWMSQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.14
Rot. Bonds4

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

4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 107344274) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID107344274
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCNC(=O)C(C)n1cc(N)c(C(=O)O)n1
InChIInChI=1S/C9H14N4O3/c1-3-11-8(14)5(2)13-4-6(10)7(12-13)9(15)16/h4-5H,3,10H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyQQEUQORJOBWMSQ-UHFFFAOYSA-N
XLogP-0.14
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344126
2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide
CID 165472875
ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053
4-amino-1-(1-amino-1-oxobutan-2-yl)pyrazole-3-carboxylic acid
CID 107344037
4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162
2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
CID 60910688
2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
CID 107344703
4-amino-1-butan-2-ylpyrazole-3-carboxamide
CID 107345234
2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489814
ethyl 4-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrazole-3-carboxylate
CID 107344871
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
CID 63338077
2-(4-aminotriazol-2-yl)-N-ethylpropanamide
CID 165480792

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 107344274) is 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is CCNC(=O)C(C)n1cc(N)c(C(=O)O)n1.
What is the InChIKey of 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is QQEUQORJOBWMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-3-11-8(14)5(2)13-4-6(10)7(12-13)9(15)16/h4-5H,3,10H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 107344274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).