N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine

C12H21N3 — CID 81004555

IUPACN-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine
SMILESCNCC1CCC1n1nc(C)c(C)c1C
InChIInChI=1S/C12H21N3/c1-8-9(2)14-15(10(8)3)12-6-5-11(12)7-13-4/h11-13H,5-7H2,1-4H3
InChIKeyHGGFWDCYAYUQQY-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.98
Rot. Bonds3

About N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine

N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine (PubChem CID 81004555) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine
PubChem CID81004555
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine
SMILESCNCC1CCC1n1nc(C)c(C)c1C
InChIInChI=1S/C12H21N3/c1-8-9(2)14-15(10(8)3)12-6-5-11(12)7-13-4/h11-13H,5-7H2,1-4H3
InChIKeyHGGFWDCYAYUQQY-UHFFFAOYSA-N
XLogP1.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
2,3-dimethyl-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 82417238
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 54592636

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine (CID 81004555) is N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine is CNCC1CCC1n1nc(C)c(C)c1C.
What is the InChIKey of N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine?
The InChIKey is HGGFWDCYAYUQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8-9(2)14-15(10(8)3)12-6-5-11(12)7-13-4/h11-13H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine?
N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3,4,5-trimethylpyrazol-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 81004555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).