3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid

C14H15N5O2 — CID 68797274

IUPAC3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1cc(-c2ccc3[nH]nc(N)c3c2)cn1
InChIInChI=1S/C14H15N5O2/c1-8(4-13(20)21)19-7-10(6-16-19)9-2-3-12-11(5-9)14(15)18-17-12/h2-3,5-8H,4H2,1H3,(H,20,21)(H3,15,17,18)
InChIKeyCKUXWDQCOALXAH-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.04
Rot. Bonds4

About 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid

3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid (PubChem CID 68797274) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid
PubChem CID68797274
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1cc(-c2ccc3[nH]nc(N)c3c2)cn1
InChIInChI=1S/C14H15N5O2/c1-8(4-13(20)21)19-7-10(6-16-19)9-2-3-12-11(5-9)14(15)18-17-12/h2-3,5-8H,4H2,1H3,(H,20,21)(H3,15,17,18)
InChIKeyCKUXWDQCOALXAH-UHFFFAOYSA-N
XLogP2.04
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid (CID 68797274) is 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid is CC(CC(=O)O)n1cc(-c2ccc3[nH]nc(N)c3c2)cn1.
What is the InChIKey of 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid?
The InChIKey is CKUXWDQCOALXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8(4-13(20)21)19-7-10(6-16-19)9-2-3-12-11(5-9)14(15)18-17-12/h2-3,5-8H,4H2,1H3,(H,20,21)(H3,15,17,18).
What are the key properties of 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid?
3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid has a molecular weight of 285.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 68797274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).