4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid

C10H17N3O2 — CID 103570661

IUPAC4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid
SMILESCCn1cc(CC(N)CCC(=O)O)cn1
InChIInChI=1S/C10H17N3O2/c1-2-13-7-8(6-12-13)5-9(11)3-4-10(14)15/h6-7,9H,2-5,11H2,1H3,(H,14,15)
InChIKeyOGTKQVQQOKRGNJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds6

About 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid

4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid (PubChem CID 103570661) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid
PubChem CID103570661
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid
SMILESCCn1cc(CC(N)CCC(=O)O)cn1
InChIInChI=1S/C10H17N3O2/c1-2-13-7-8(6-12-13)5-9(11)3-4-10(14)15/h6-7,9H,2-5,11H2,1H3,(H,14,15)
InChIKeyOGTKQVQQOKRGNJ-UHFFFAOYSA-N
XLogP0.64
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
4-amino-5-(1-phenylpyrazol-4-yl)pentanoic acid
CID 62961516
5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103570664
4-chloro-4-(1-ethylpyrazol-4-yl)butanoic acid
CID 103571317
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine
CID 65128491
3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butanoic acid
CID 66113019
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid (CID 103570661) is 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid is CCn1cc(CC(N)CCC(=O)O)cn1.
What is the InChIKey of 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid?
The InChIKey is OGTKQVQQOKRGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-13-7-8(6-12-13)5-9(11)3-4-10(14)15/h6-7,9H,2-5,11H2,1H3,(H,14,15).
What are the key properties of 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid?
4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid is sourced from PubChem (CID 103570661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).