(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine

C16H21N3 — CID 55182305

IUPAC(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine
SMILESCCn1cc(C(N)C2(c3ccccc3)CCC2)cn1
InChIInChI=1S/C16H21N3/c1-2-19-12-13(11-18-19)15(17)16(9-6-10-16)14-7-4-3-5-8-14/h3-5,7-8,11-12,15H,2,6,9-10,17H2,1H3
InChIKeyLAXQLAGOBCHICX-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.02
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine

(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine (PubChem CID 55182305) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine
PubChem CID55182305
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine
SMILESCCn1cc(C(N)C2(c3ccccc3)CCC2)cn1
InChIInChI=1S/C16H21N3/c1-2-19-12-13(11-18-19)15(17)16(9-6-10-16)14-7-4-3-5-8-14/h3-5,7-8,11-12,15H,2,6,9-10,17H2,1H3
InChIKeyLAXQLAGOBCHICX-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine (CID 55182305) is (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine is CCn1cc(C(N)C2(c3ccccc3)CCC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine?
The InChIKey is LAXQLAGOBCHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19-12-13(11-18-19)15(17)16(9-6-10-16)14-7-4-3-5-8-14/h3-5,7-8,11-12,15H,2,6,9-10,17H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine?
(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine is sourced from PubChem (CID 55182305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).