N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine

C19H20N6O2 — CID 89197637

IUPACN-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine
SMILESC#Cc1cnc(Nc2cc(-c3c(OC)cccc3OCCCN)[nH]n2)cn1
InChIInChI=1S/C19H20N6O2/c1-3-13-11-22-18(12-21-13)23-17-10-14(24-25-17)19-15(26-2)6-4-7-16(19)27-9-5-8-20/h1,4,6-7,10-12H,5,8-9,20H2,2H3,(H2,22,23,24,25)
InChIKeyZORSSDIQNDNATA-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.33
Rot. Bonds8

About N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine

N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine (PubChem CID 89197637) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine.

Molecular Properties

Compound NameN-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine
PubChem CID89197637
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine
SMILESC#Cc1cnc(Nc2cc(-c3c(OC)cccc3OCCCN)[nH]n2)cn1
InChIInChI=1S/C19H20N6O2/c1-3-13-11-22-18(12-21-13)23-17-10-14(24-25-17)19-15(26-2)6-4-7-16(19)27-9-5-8-20/h1,4,6-7,10-12H,5,8-9,20H2,2H3,(H2,22,23,24,25)
InChIKeyZORSSDIQNDNATA-UHFFFAOYSA-N
XLogP2.33
TPSA110.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine?
The IUPAC name of N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine (CID 89197637) is N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine.
What is the SMILES notation for N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine?
The canonical SMILES for N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine is C#Cc1cnc(Nc2cc(-c3c(OC)cccc3OCCCN)[nH]n2)cn1.
What is the InChIKey of N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine?
The InChIKey is ZORSSDIQNDNATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-3-13-11-22-18(12-21-13)23-17-10-14(24-25-17)19-15(26-2)6-4-7-16(19)27-9-5-8-20/h1,4,6-7,10-12H,5,8-9,20H2,2H3,(H2,22,23,24,25).
What are the key properties of N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine?
N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine has a molecular weight of 364.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]-5-ethynylpyrazin-2-amine is sourced from PubChem (CID 89197637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).