4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine

C13H17N3O — CID 61393233

IUPAC4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
SMILESCC(C)COc1ccc(-c2cn[nH]c2N)cc1
InChIInChI=1S/C13H17N3O/c1-9(2)8-17-11-5-3-10(4-6-11)12-7-15-16-13(12)14/h3-7,9H,8H2,1-2H3,(H3,14,15,16)
InChIKeySIPQROCBBSZTSM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.69
Rot. Bonds4

About 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine

4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 61393233) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
PubChem CID61393233
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
SMILESCC(C)COc1ccc(-c2cn[nH]c2N)cc1
InChIInChI=1S/C13H17N3O/c1-9(2)8-17-11-5-3-10(4-6-11)12-7-15-16-13(12)14/h3-7,9H,8H2,1-2H3,(H3,14,15,16)
InChIKeySIPQROCBBSZTSM-UHFFFAOYSA-N
XLogP2.69
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine (CID 61393233) is 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine is CC(C)COc1ccc(-c2cn[nH]c2N)cc1.
What is the InChIKey of 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is SIPQROCBBSZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)8-17-11-5-3-10(4-6-11)12-7-15-16-13(12)14/h3-7,9H,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine?
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 61393233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).