5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine

C14H19N3O — CID 115111529

IUPAC5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
SMILESCOC(C)(C)Cc1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-14(2,18-3)9-10-4-6-11(7-5-10)12-8-13(15)17-16-12/h4-8H,9H2,1-3H3,(H3,15,16,17)
InChIKeyRCCJKJSAZLTQNN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.63
Rot. Bonds4

About 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine

5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 115111529) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
PubChem CID115111529
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
SMILESCOC(C)(C)Cc1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-14(2,18-3)9-10-4-6-11(7-5-10)12-8-13(15)17-16-12/h4-8H,9H2,1-3H3,(H3,15,16,17)
InChIKeyRCCJKJSAZLTQNN-UHFFFAOYSA-N
XLogP2.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
3-(4-propylphenyl)-1H-pyrazol-5-amine
CID 2384284
3-(methoxymethyl)-4-phenyl-1H-pyrazol-5-amine
CID 6456680
3-(4-tert-butylphenyl)-1H-pyrazol-5-amine
CID 2818896
3-(4-ethylphenyl)-5-(oxan-4-yl)-1H-pyrazole
CID 23656792
3-Methyl-4-(4-methylphenyl)-1H-pyrazol-5-amine
CID 24219848
5-[1,1'-Biphenyl]-4-yl-1H-pyrazol-3-amine
CID 804450
3-(2-methylphenyl)-1H-pyrazol-5-amine
CID 3752821
3-(3-methylphenyl)-1H-pyrazol-5-amine
CID 5131428
3-(4-(Trifluoromethyl)Phenyl)-1H-Pyrazol-5-Amine
CID 15728961

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine (CID 115111529) is 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine is COC(C)(C)Cc1ccc(-c2cc(N)n[nH]2)cc1.
What is the InChIKey of 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is RCCJKJSAZLTQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,18-3)9-10-4-6-11(7-5-10)12-8-13(15)17-16-12/h4-8H,9H2,1-3H3,(H3,15,16,17).
What are the key properties of 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine?
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115111529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).