4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid

C15H18N4O3 — CID 119352538

IUPAC4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCCc1c(C(=O)NCCCC(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C15H18N4O3/c1-2-12-11(15(22)17-9-5-7-14(20)21)10-18-19(12)13-6-3-4-8-16-13/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,22)(H,20,21)
InChIKeyVMDGACNNJMLNHO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.42
Rot. Bonds7

About 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid

4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 119352538) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
PubChem CID119352538
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCCc1c(C(=O)NCCCC(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C15H18N4O3/c1-2-12-11(15(22)17-9-5-7-14(20)21)10-18-19(12)13-6-3-4-8-16-13/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,22)(H,20,21)
InChIKeyVMDGACNNJMLNHO-UHFFFAOYSA-N
XLogP1.42
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55831374
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39043684
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
CID 31855775
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid (CID 119352538) is 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid is CCc1c(C(=O)NCCCC(=O)O)cnn1-c1ccccn1.
What is the InChIKey of 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is VMDGACNNJMLNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-12-11(15(22)17-9-5-7-14(20)21)10-18-19(12)13-6-3-4-8-16-13/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid?
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119352538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).