N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine

C13H23N3 — CID 65194929

IUPACN-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2cnn(CC)c2)CCC1
InChIInChI=1S/C13H23N3/c1-3-14-11-13(6-5-7-13)8-12-9-15-16(4-2)10-12/h9-10,14H,3-8,11H2,1-2H3
InChIKeyUENDZCXVPKDJFH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.23
Rot. Bonds6

About N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine

N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 65194929) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID65194929
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2cnn(CC)c2)CCC1
InChIInChI=1S/C13H23N3/c1-3-14-11-13(6-5-7-13)8-12-9-15-16(4-2)10-12/h9-10,14H,3-8,11H2,1-2H3
InChIKeyUENDZCXVPKDJFH-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024888
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62724381
N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 113359893
[1-[[(1-ethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479607
N-[[4-[(1-ethylpyrazol-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62904878
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115673834
1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
CID 79452458
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine (CID 65194929) is N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1(Cc2cnn(CC)c2)CCC1.
What is the InChIKey of N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is UENDZCXVPKDJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-14-11-13(6-5-7-13)8-12-9-15-16(4-2)10-12/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine?
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65194929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).