1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine

C14H17N3O2 — CID 117401972

IUPAC1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine
SMILESCn1ncc(-c2ccc(OC3CCOC3)cc2)c1N
InChIInChI=1S/C14H17N3O2/c1-17-14(15)13(8-16-17)10-2-4-11(5-3-10)19-12-6-7-18-9-12/h2-5,8,12H,6-7,9,15H2,1H3
InChIKeyRNKWGWXHYZSZHP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.84
Rot. Bonds3

About 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine

1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine (PubChem CID 117401972) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine
PubChem CID117401972
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine
SMILESCn1ncc(-c2ccc(OC3CCOC3)cc2)c1N
InChIInChI=1S/C14H17N3O2/c1-17-14(15)13(8-16-17)10-2-4-11(5-3-10)19-12-6-7-18-9-12/h2-5,8,12H,6-7,9,15H2,1H3
InChIKeyRNKWGWXHYZSZHP-UHFFFAOYSA-N
XLogP1.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine (CID 117401972) is 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine is Cn1ncc(-c2ccc(OC3CCOC3)cc2)c1N.
What is the InChIKey of 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine?
The InChIKey is RNKWGWXHYZSZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-14(15)13(8-16-17)10-2-4-11(5-3-10)19-12-6-7-18-9-12/h2-5,8,12H,6-7,9,15H2,1H3.
What are the key properties of 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine?
1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine has a molecular weight of 259.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine is sourced from PubChem (CID 117401972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).