4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid

C14H23N3O3 — CID 66128880

IUPAC4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCCn1nc(C)cc1C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C14H23N3O3/c1-5-17-12(9-11(4)15-17)14(20)16(10(2)3)8-6-7-13(18)19/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyWOFNEBBFUPKMME-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.93
Rot. Bonds7

About 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid

4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 66128880) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID66128880
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCCn1nc(C)cc1C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C14H23N3O3/c1-5-17-12(9-11(4)15-17)14(20)16(10(2)3)8-6-7-13(18)19/h9-10H,5-8H2,1-4H3,(H,18,19)
InChIKeyWOFNEBBFUPKMME-UHFFFAOYSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 66127193
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
2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
CID 71859611
4-[(1,5-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827421
N-(3-bromopropyl)-1,3-diethyl-N-propan-2-ylpyrazole-5-carboxamide
CID 80661593
4-[(3,5-dimethylbenzoyl)-propan-2-ylamino]butanoic acid
CID 60830753
N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
CID 66120277
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
4-[(4-methylbenzoyl)-propan-2-ylamino]butanoic acid
CID 54926186
N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 107206783
4-[(5-bromopyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60826579

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid (CID 66128880) is 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid is CCn1nc(C)cc1C(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is WOFNEBBFUPKMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-17-12(9-11(4)15-17)14(20)16(10(2)3)8-6-7-13(18)19/h9-10H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 66128880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).