N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine

C14H15N5 — CID 54937576

IUPACN-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine
SMILESCC(Cn1cccn1)Nc1nncc2ccccc12
InChIInChI=1S/C14H15N5/c1-11(10-19-8-4-7-16-19)17-14-13-6-3-2-5-12(13)9-15-18-14/h2-9,11H,10H2,1H3,(H,17,18)
InChIKeyNCUWOHCYHOGCKR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.33
Rot. Bonds4

About N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine

N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine (PubChem CID 54937576) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine
PubChem CID54937576
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine
SMILESCC(Cn1cccn1)Nc1nncc2ccccc12
InChIInChI=1S/C14H15N5/c1-11(10-19-8-4-7-16-19)17-14-13-6-3-2-5-12(13)9-15-18-14/h2-9,11H,10H2,1H3,(H,17,18)
InChIKeyNCUWOHCYHOGCKR-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine (CID 54937576) is N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine is CC(Cn1cccn1)Nc1nncc2ccccc12.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine?
The InChIKey is NCUWOHCYHOGCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-11(10-19-8-4-7-16-19)17-14-13-6-3-2-5-12(13)9-15-18-14/h2-9,11H,10H2,1H3,(H,17,18).
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine?
N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine has a molecular weight of 253.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine is sourced from PubChem (CID 54937576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).