3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid

C13H21N3O3 — CID 66127193

IUPAC3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1cc(C)nn1CC)C(C)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-15(10(4)8-12(17)18)13(19)11-7-9(3)14-16(11)6-2/h7,10H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyVHZLSWODKIOSLB-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.54
Rot. Bonds6

About 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid

3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid (PubChem CID 66127193) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
PubChem CID66127193
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)c1cc(C)nn1CC)C(C)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-15(10(4)8-12(17)18)13(19)11-7-9(3)14-16(11)6-2/h7,10H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyVHZLSWODKIOSLB-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 66128880
2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
CID 71859611
N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 62865824
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
CID 60619942
3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
3-[(4-chloro-1-methylpyrrole-2-carbonyl)-ethylamino]butanoic acid
CID 55123329
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid (CID 66127193) is 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid is CCN(C(=O)c1cc(C)nn1CC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid?
The InChIKey is VHZLSWODKIOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-15(10(4)8-12(17)18)13(19)11-7-9(3)14-16(11)6-2/h7,10H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid?
3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 66127193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).