5-(3-ethylphenyl)-1H-pyrazol-3-amine

C11H13N3 — CID 117280888

IUPAC5-(3-ethylphenyl)-1H-pyrazol-3-amine
SMILESCCc1cccc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H13N3/c1-2-8-4-3-5-9(6-8)10-7-11(12)14-13-10/h3-7H,2H2,1H3,(H3,12,13,14)
InChIKeyVZNMVEXQDGNUSK-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.22
Rot. Bonds2

About 5-(3-ethylphenyl)-1H-pyrazol-3-amine

5-(3-ethylphenyl)-1H-pyrazol-3-amine (PubChem CID 117280888) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-ethylphenyl)-1H-pyrazol-3-amine
PubChem CID117280888
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-(3-ethylphenyl)-1H-pyrazol-3-amine
SMILESCCc1cccc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H13N3/c1-2-8-4-3-5-9(6-8)10-7-11(12)14-13-10/h3-7H,2H2,1H3,(H3,12,13,14)
InChIKeyVZNMVEXQDGNUSK-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-ethylphenyl)-1H-pyrazol-3-amine (CID 117280888) is 5-(3-ethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-ethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-ethylphenyl)-1H-pyrazol-3-amine is CCc1cccc(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-(3-ethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is VZNMVEXQDGNUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-8-4-3-5-9(6-8)10-7-11(12)14-13-10/h3-7H,2H2,1H3,(H3,12,13,14).
What are the key properties of 5-(3-ethylphenyl)-1H-pyrazol-3-amine?
5-(3-ethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 187.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117280888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).