1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine

C17H23N3O — CID 66011973

IUPAC1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine
SMILESCC(C)c1nn(C)c(Oc2ccc3c(c2)CCCC3)c1N
InChIInChI=1S/C17H23N3O/c1-11(2)16-15(18)17(20(3)19-16)21-14-9-8-12-6-4-5-7-13(12)10-14/h8-11H,4-7,18H2,1-3H3
InChIKeyIVECFYAZWBRLHN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.80
Rot. Bonds3

About 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine

1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine (PubChem CID 66011973) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine
PubChem CID66011973
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine
SMILESCC(C)c1nn(C)c(Oc2ccc3c(c2)CCCC3)c1N
InChIInChI=1S/C17H23N3O/c1-11(2)16-15(18)17(20(3)19-16)21-14-9-8-12-6-4-5-7-13(12)10-14/h8-11H,4-7,18H2,1-3H3
InChIKeyIVECFYAZWBRLHN-UHFFFAOYSA-N
XLogP3.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine (CID 66011973) is 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine is CC(C)c1nn(C)c(Oc2ccc3c(c2)CCCC3)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine?
The InChIKey is IVECFYAZWBRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)16-15(18)17(20(3)19-16)21-14-9-8-12-6-4-5-7-13(12)10-14/h8-11H,4-7,18H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine?
1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine is sourced from PubChem (CID 66011973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).