2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid

C8H13N3O3 — CID 63376621

IUPAC2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid
SMILESNc1c(CCCO)cnn1CC(=O)O
InChIInChI=1S/C8H13N3O3/c9-8-6(2-1-3-12)4-10-11(8)5-7(13)14/h4,12H,1-3,5,9H2,(H,13,14)
InChIKeyAGOZDPNSCINLCO-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.53
Rot. Bonds5

About 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid

2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid (PubChem CID 63376621) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid
PubChem CID63376621
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid
SMILESNc1c(CCCO)cnn1CC(=O)O
InChIInChI=1S/C8H13N3O3/c9-8-6(2-1-3-12)4-10-11(8)5-7(13)14/h4,12H,1-3,5,9H2,(H,13,14)
InChIKeyAGOZDPNSCINLCO-UHFFFAOYSA-N
XLogP-0.53
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid (CID 63376621) is 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid is Nc1c(CCCO)cnn1CC(=O)O.
What is the InChIKey of 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid?
The InChIKey is AGOZDPNSCINLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-8-6(2-1-3-12)4-10-11(8)5-7(13)14/h4,12H,1-3,5,9H2,(H,13,14).
What are the key properties of 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid?
2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid has a molecular weight of 199.21 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(3-hydroxypropyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 63376621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).