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

C17H25N3O — CID 83203363

IUPAC1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H25N3O/c1-5-14(6-2)20-11-16(18)17(19-20)13-7-9-15(10-8-13)21-12(3)4/h7-12,14H,5-6,18H2,1-4H3
InChIKeyHVLBXWSFXPKCOH-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.28
Rot. Bonds6

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

1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine (PubChem CID 83203363) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine
PubChem CID83203363
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H25N3O/c1-5-14(6-2)20-11-16(18)17(19-20)13-7-9-15(10-8-13)21-12(3)4/h7-12,14H,5-6,18H2,1-4H3
InChIKeyHVLBXWSFXPKCOH-UHFFFAOYSA-N
XLogP4.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine?
The IUPAC name of 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine (CID 83203363) is 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine?
The canonical SMILES for 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine is CCC(CC)n1cc(N)c(-c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine?
The InChIKey is HVLBXWSFXPKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-14(6-2)20-11-16(18)17(19-20)13-7-9-15(10-8-13)21-12(3)4/h7-12,14H,5-6,18H2,1-4H3.
What are the key properties of 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine?
1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine is sourced from PubChem (CID 83203363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).