N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine

C13H23N3 — CID 81018130

IUPACN-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
SMILESCCCn1cc(C2CCC2CNCC)cn1
InChIInChI=1S/C13H23N3/c1-3-7-16-10-12(9-15-16)13-6-5-11(13)8-14-4-2/h9-11,13-14H,3-8H2,1-2H3
InChIKeyZXNSFWFJJQHVAD-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.40
Rot. Bonds6

About N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine

N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine (PubChem CID 81018130) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
PubChem CID81018130
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
SMILESCCCn1cc(C2CCC2CNCC)cn1
InChIInChI=1S/C13H23N3/c1-3-7-16-10-12(9-15-16)13-6-5-11(13)8-14-4-2/h9-11,13-14H,3-8H2,1-2H3
InChIKeyZXNSFWFJJQHVAD-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine
CID 81032019
N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine
CID 81023100
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]ethanamine
CID 103573230
1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81029527
2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
CID 64908753
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81017767
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81008575
1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 114105058

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine (CID 81018130) is N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine is CCCn1cc(C2CCC2CNCC)cn1.
What is the InChIKey of N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine?
The InChIKey is ZXNSFWFJJQHVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-7-16-10-12(9-15-16)13-6-5-11(13)8-14-4-2/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine?
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81018130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).