N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine

C18H25N3 — CID 63080063

IUPACN-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25N3/c1-3-19-17(12-15-13-20-21(2)14-15)18(10-7-11-18)16-8-5-4-6-9-16/h4-6,8-9,13-14,17,19H,3,7,10-12H2,1-2H3
InChIKeyRNZDOUZVTJENOK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine

N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine (PubChem CID 63080063) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
PubChem CID63080063
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25N3/c1-3-19-17(12-15-13-20-21(2)14-15)18(10-7-11-18)16-8-5-4-6-9-16/h4-6,8-9,13-14,17,19H,3,7,10-12H2,1-2H3
InChIKeyRNZDOUZVTJENOK-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 107049129
[3-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)propyl]hydrazine
CID 103026722
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62796574
2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
CID 63417620
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531
N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
CID 63078290
N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
CID 63080062
N-ethyl-2-(2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62879879
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 79751897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine (CID 63080063) is N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine is CCNC(Cc1cnn(C)c1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine?
The InChIKey is RNZDOUZVTJENOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-19-17(12-15-13-20-21(2)14-15)18(10-7-11-18)16-8-5-4-6-9-16/h4-6,8-9,13-14,17,19H,3,7,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine?
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine is sourced from PubChem (CID 63080063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).