5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine

C12H15N3O — CID 62919984

IUPAC5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
SMILESCC(C)Oc1cccc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C12H15N3O/c1-8(2)16-10-5-3-4-9(6-10)11-7-12(13)15-14-11/h3-8H,1-2H3,(H3,13,14,15)
InChIKeyHZRXFMRZGGVRMD-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.45
Rot. Bonds3

About 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine

5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine (PubChem CID 62919984) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
PubChem CID62919984
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
SMILESCC(C)Oc1cccc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C12H15N3O/c1-8(2)16-10-5-3-4-9(6-10)11-7-12(13)15-14-11/h3-8H,1-2H3,(H3,13,14,15)
InChIKeyHZRXFMRZGGVRMD-UHFFFAOYSA-N
XLogP2.45
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine (CID 62919984) is 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine is CC(C)Oc1cccc(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is HZRXFMRZGGVRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)16-10-5-3-4-9(6-10)11-7-12(13)15-14-11/h3-8H,1-2H3,(H3,13,14,15).
What are the key properties of 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62919984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).