N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine

C12H19N3 — CID 103132567

IUPACN-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCn1ccc(C2CCC2CNC2CC2)n1
InChIInChI=1S/C12H19N3/c1-15-7-6-12(14-15)11-5-2-9(11)8-13-10-3-4-10/h6-7,9-11,13H,2-5,8H2,1H3
InChIKeyBFXWURKJXIQGFS-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.67
Rot. Bonds4

About N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 103132567) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID103132567
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCn1ccc(C2CCC2CNC2CC2)n1
InChIInChI=1S/C12H19N3/c1-15-7-6-12(14-15)11-5-2-9(11)8-13-10-3-4-10/h6-7,9-11,13H,2-5,8H2,1H3
InChIKeyBFXWURKJXIQGFS-UHFFFAOYSA-N
XLogP1.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(1-methylpyrazol-3-yl)cyclopentyl]methyl]propan-2-amine
CID 103132618
3-(5-chloro-2-ethylcyclohexyl)-1-methylpyrazole
CID 165496849
2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine
CID 103131763
3-cyclopentyl-1-methylpyrazole
CID 23300003
N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 82870716
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184
N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
CID 81025720
N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 81004556
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine
CID 81017961
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 103131603

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine (CID 103132567) is N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine is Cn1ccc(C2CCC2CNC2CC2)n1.
What is the InChIKey of N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is BFXWURKJXIQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-7-6-12(14-15)11-5-2-9(11)8-13-10-3-4-10/h6-7,9-11,13H,2-5,8H2,1H3.
What are the key properties of N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 103132567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).