1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine

C14H17N3O — CID 117360416

IUPAC1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine
SMILESCn1ncc(-c2ccccc2C2CCOC2)c1N
InChIInChI=1S/C14H17N3O/c1-17-14(15)13(8-16-17)12-5-3-2-4-11(12)10-6-7-18-9-10/h2-5,8,10H,6-7,9,15H2,1H3
InChIKeyWJCSBCUSMMAIPH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds2

About 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine

1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine (PubChem CID 117360416) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine
PubChem CID117360416
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine
SMILESCn1ncc(-c2ccccc2C2CCOC2)c1N
InChIInChI=1S/C14H17N3O/c1-17-14(15)13(8-16-17)12-5-3-2-4-11(12)10-6-7-18-9-10/h2-5,8,10H,6-7,9,15H2,1H3
InChIKeyWJCSBCUSMMAIPH-UHFFFAOYSA-N
XLogP2.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine (CID 117360416) is 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine is Cn1ncc(-c2ccccc2C2CCOC2)c1N.
What is the InChIKey of 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine?
The InChIKey is WJCSBCUSMMAIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-14(15)13(8-16-17)12-5-3-2-4-11(12)10-6-7-18-9-10/h2-5,8,10H,6-7,9,15H2,1H3.
What are the key properties of 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine?
1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 117360416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).