3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine

C15H21N3O — CID 164608378

IUPAC3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
SMILESCC(C)Oc1ccc(-c2cnn(CCCN)c2)cc1
InChIInChI=1S/C15H21N3O/c1-12(2)19-15-6-4-13(5-7-15)14-10-17-18(11-14)9-3-8-16/h4-7,10-12H,3,8-9,16H2,1-2H3
InChIKeyCOGPAPDHJOAOFP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.69
Rot. Bonds6

About 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine

3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine (PubChem CID 164608378) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
PubChem CID164608378
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
SMILESCC(C)Oc1ccc(-c2cnn(CCCN)c2)cc1
InChIInChI=1S/C15H21N3O/c1-12(2)19-15-6-4-13(5-7-15)14-10-17-18(11-14)9-3-8-16/h4-7,10-12H,3,8-9,16H2,1-2H3
InChIKeyCOGPAPDHJOAOFP-UHFFFAOYSA-N
XLogP2.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine (CID 164608378) is 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine is CC(C)Oc1ccc(-c2cnn(CCCN)c2)cc1.
What is the InChIKey of 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is COGPAPDHJOAOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)19-15-6-4-13(5-7-15)14-10-17-18(11-14)9-3-8-16/h4-7,10-12H,3,8-9,16H2,1-2H3.
What are the key properties of 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine?
3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 164608378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).