1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine

C14H17N3 — CID 62488991

IUPAC1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-n2ccc(C3CC3)n2)cc1
InChIInChI=1S/C14H17N3/c1-10(15)11-4-6-13(7-5-11)17-9-8-14(16-17)12-2-3-12/h4-10,12H,2-3,15H2,1H3
InChIKeyRZVVJWSQKQSBSM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.77
Rot. Bonds3

About 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine

1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 62488991) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine
PubChem CID62488991
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-n2ccc(C3CC3)n2)cc1
InChIInChI=1S/C14H17N3/c1-10(15)11-4-6-13(7-5-11)17-9-8-14(16-17)12-2-3-12/h4-10,12H,2-3,15H2,1H3
InChIKeyRZVVJWSQKQSBSM-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine (CID 62488991) is 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine is CC(N)c1ccc(-n2ccc(C3CC3)n2)cc1.
What is the InChIKey of 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is RZVVJWSQKQSBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(15)11-4-6-13(7-5-11)17-9-8-14(16-17)12-2-3-12/h4-10,12H,2-3,15H2,1H3.
What are the key properties of 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine?
1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 62488991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).