3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid

C14H23N3O3 — CID 120532589

IUPAC3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCCn1cc(C(=O)NC(CC)(CC)CC(=O)O)cn1
InChIInChI=1S/C14H23N3O3/c1-4-7-17-10-11(9-15-17)13(20)16-14(5-2,6-3)8-12(18)19/h9-10H,4-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyZBMPLKOMEWGUEL-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.06
Rot. Bonds8

About 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid

3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 120532589) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID120532589
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCCn1cc(C(=O)NC(CC)(CC)CC(=O)O)cn1
InChIInChI=1S/C14H23N3O3/c1-4-7-17-10-11(9-15-17)13(20)16-14(5-2,6-3)8-12(18)19/h9-10H,4-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyZBMPLKOMEWGUEL-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid
CID 120977736
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide
CID 99704493
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79054130
2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79060967
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-ethylpentanoic acid
CID 120532576
3-(4-fluorophenyl)-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120513079
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79055851
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069238
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid (CID 120532589) is 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid is CCCn1cc(C(=O)NC(CC)(CC)CC(=O)O)cn1.
What is the InChIKey of 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is ZBMPLKOMEWGUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-7-17-10-11(9-15-17)13(20)16-14(5-2,6-3)8-12(18)19/h9-10H,4-8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid?
3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120532589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).