5-phthalazin-5-yl-1H-pyrazol-3-amine

C11H9N5 — CID 117301213

IUPAC5-phthalazin-5-yl-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc3cnncc23)[nH]n1
InChIInChI=1S/C11H9N5/c12-11-4-10(15-16-11)8-3-1-2-7-5-13-14-6-9(7)8/h1-6H,(H3,12,15,16)
InChIKeyWJQBSWFTUJZQRF-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.60
Rot. Bonds1

About 5-phthalazin-5-yl-1H-pyrazol-3-amine

5-phthalazin-5-yl-1H-pyrazol-3-amine (PubChem CID 117301213) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-phthalazin-5-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-phthalazin-5-yl-1H-pyrazol-3-amine
PubChem CID117301213
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name5-phthalazin-5-yl-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc3cnncc23)[nH]n1
InChIInChI=1S/C11H9N5/c12-11-4-10(15-16-11)8-3-1-2-7-5-13-14-6-9(7)8/h1-6H,(H3,12,15,16)
InChIKeyWJQBSWFTUJZQRF-UHFFFAOYSA-N
XLogP1.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine
CID 117342094
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
5-(3-methoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 118614697
5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine
CID 117332684
5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 117364136
3-(3-amino-1H-pyrazol-5-yl)-1H-indol-7-ol
CID 136985847
5-(3-ethylphenyl)-1H-pyrazol-3-amine
CID 117280888
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine
CID 117369289

Frequently Asked Questions

What is the IUPAC name of 5-phthalazin-5-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-phthalazin-5-yl-1H-pyrazol-3-amine (CID 117301213) is 5-phthalazin-5-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-phthalazin-5-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-phthalazin-5-yl-1H-pyrazol-3-amine is Nc1cc(-c2cccc3cnncc23)[nH]n1.
What is the InChIKey of 5-phthalazin-5-yl-1H-pyrazol-3-amine?
The InChIKey is WJQBSWFTUJZQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-11-4-10(15-16-11)8-3-1-2-7-5-13-14-6-9(7)8/h1-6H,(H3,12,15,16).
What are the key properties of 5-phthalazin-5-yl-1H-pyrazol-3-amine?
5-phthalazin-5-yl-1H-pyrazol-3-amine has a molecular weight of 211.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phthalazin-5-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 117301213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).