5-ethyl-4-phenyl-1H-pyrazol-3-amine

C11H13N3 — CID 820346

IUPAC5-ethyl-4-phenyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-2-9-10(11(12)14-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,12,13,14)
InChIKeyCXZWOBWWNRMXCN-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.22
Rot. Bonds2

About 5-ethyl-4-phenyl-1H-pyrazol-3-amine

5-ethyl-4-phenyl-1H-pyrazol-3-amine (PubChem CID 820346) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-ethyl-4-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-phenyl-1H-pyrazol-3-amine
PubChem CID820346
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-ethyl-4-phenyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C11H13N3/c1-2-9-10(11(12)14-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,12,13,14)
InChIKeyCXZWOBWWNRMXCN-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-ethyl-4-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-phenyl-1H-pyrazol-3-amine (CID 820346) is 5-ethyl-4-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-phenyl-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1-c1ccccc1.
What is the InChIKey of 5-ethyl-4-phenyl-1H-pyrazol-3-amine?
The InChIKey is CXZWOBWWNRMXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-9-10(11(12)14-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,12,13,14).
What are the key properties of 5-ethyl-4-phenyl-1H-pyrazol-3-amine?
5-ethyl-4-phenyl-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-ethyl-4-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 820346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).