4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine

C14H19N3 — CID 117331142

IUPAC4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCCc1ccc(C(C)C)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C14H19N3/c1-4-10-5-6-11(9(2)3)12(7-10)13-8-16-17-14(13)15/h5-9H,4H2,1-3H3,(H3,15,16,17)
InChIKeyQQTNHLPRGFIICH-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.34
Rot. Bonds3

About 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine

4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 117331142) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine
PubChem CID117331142
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCCc1ccc(C(C)C)c(-c2cn[nH]c2N)c1
InChIInChI=1S/C14H19N3/c1-4-10-5-6-11(9(2)3)12(7-10)13-8-16-17-14(13)15/h5-9H,4H2,1-3H3,(H3,15,16,17)
InChIKeyQQTNHLPRGFIICH-UHFFFAOYSA-N
XLogP3.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine (CID 117331142) is 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine is CCc1ccc(C(C)C)c(-c2cn[nH]c2N)c1.
What is the InChIKey of 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is QQTNHLPRGFIICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-10-5-6-11(9(2)3)12(7-10)13-8-16-17-14(13)15/h5-9H,4H2,1-3H3,(H3,15,16,17).
What are the key properties of 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine?
4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117331142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).