N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine

C13H17N3 — CID 62771315

IUPACN-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
SMILESCCNCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C13H17N3/c1-2-14-8-9-16-11-13(10-15-16)12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3
InChIKeyFSAMJXPIKPWTLX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.16
Rot. Bonds5

About N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine

N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine (PubChem CID 62771315) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
PubChem CID62771315
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
SMILESCCNCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C13H17N3/c1-2-14-8-9-16-11-13(10-15-16)12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3
InChIKeyFSAMJXPIKPWTLX-UHFFFAOYSA-N
XLogP2.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 4362222
CID 4362222
CID 54567
CID 54567
CID 206694
CID 206694
CID 2764412
CID 2764412
CID 43817898
CID 43817898
CID 3546441
CID 3546441
CID 11126737
CID 11126737
CID 5200398
CID 5200398
CID 22493381
CID 22493381
CID 2759980
CID 2759980
CID 7131412
CID 7131412
CID 3794579
CID 3794579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine (CID 62771315) is N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine is CCNCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The InChIKey is FSAMJXPIKPWTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-14-8-9-16-11-13(10-15-16)12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3.
What are the key properties of N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine?
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 62771315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).