1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine

C14H19N3 — CID 114251829

IUPAC1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
SMILESCCn1ccc(NCC(C)c2ccccc2)n1
InChIInChI=1S/C14H19N3/c1-3-17-10-9-14(16-17)15-11-12(2)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,15,16)
InChIKeyYGCMIYNYVNOPQC-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.12
Rot. Bonds5

About 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine

1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine (PubChem CID 114251829) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
PubChem CID114251829
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
SMILESCCn1ccc(NCC(C)c2ccccc2)n1
InChIInChI=1S/C14H19N3/c1-3-17-10-9-14(16-17)15-11-12(2)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,15,16)
InChIKeyYGCMIYNYVNOPQC-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine (CID 114251829) is 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine is CCn1ccc(NCC(C)c2ccccc2)n1.
What is the InChIKey of 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine?
The InChIKey is YGCMIYNYVNOPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17-10-9-14(16-17)15-11-12(2)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine?
1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine has a molecular weight of 229.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine is sourced from PubChem (CID 114251829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).