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

C14H25N3 — CID 81017644

IUPACN-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCCCn1cc(C2CCC2CNC(C)C)cn1
InChIInChI=1S/C14H25N3/c1-4-7-17-10-13(9-16-17)14-6-5-12(14)8-15-11(2)3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyCYSDFSCKPDUCFE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.78
Rot. Bonds6

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

N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81017644) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID81017644
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCCCn1cc(C2CCC2CNC(C)C)cn1
InChIInChI=1S/C14H25N3/c1-4-7-17-10-13(9-16-17)14-6-5-12(14)8-15-11(2)3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyCYSDFSCKPDUCFE-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
CID 81025706
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
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
N-[(2-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 81018367
2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81008575

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine (CID 81017644) is N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine is CCCn1cc(C2CCC2CNC(C)C)cn1.
What is the InChIKey of N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is CYSDFSCKPDUCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-7-17-10-13(9-16-17)14-6-5-12(14)8-15-11(2)3/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.78, 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]propan-2-amine is sourced from PubChem (CID 81017644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).