1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine

C13H17N3 — CID 66425916

IUPAC1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
SMILESCc1ccc(-n2ncc(N)c2C(C)C)cc1
InChIInChI=1S/C13H17N3/c1-9(2)13-12(14)8-15-16(13)11-6-4-10(3)5-7-11/h4-9H,14H2,1-3H3
InChIKeyWQHWRPZHOXYLIP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.89
Rot. Bonds2

About 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine

1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine (PubChem CID 66425916) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
PubChem CID66425916
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
SMILESCc1ccc(-n2ncc(N)c2C(C)C)cc1
InChIInChI=1S/C13H17N3/c1-9(2)13-12(14)8-15-16(13)11-6-4-10(3)5-7-11/h4-9H,14H2,1-3H3
InChIKeyWQHWRPZHOXYLIP-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine (CID 66425916) is 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine is Cc1ccc(-n2ncc(N)c2C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine?
The InChIKey is WQHWRPZHOXYLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)13-12(14)8-15-16(13)11-6-4-10(3)5-7-11/h4-9H,14H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine?
1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66425916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).