N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine

C11H21N3 — CID 62730479

IUPACN-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CC(C)CC)c1
InChIInChI=1S/C11H21N3/c1-4-10(3)8-14-9-11(7-13-14)6-12-5-2/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyXROMAKCSGYHWMM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds6

About N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine

N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 62730479) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID62730479
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CC(C)CC)c1
InChIInChI=1S/C11H21N3/c1-4-10(3)8-14-9-11(7-13-14)6-12-5-2/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyXROMAKCSGYHWMM-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylpentyl)pyrazol-4-yl]methyl]propan-1-amine
CID 62731753
1-[1-(2-methylbutyl)pyrazol-4-yl]propan-2-amine
CID 62731335
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]ethanamine
CID 114477113
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
ethene;4-methyl-1-(2-methylbutyl)pyrazole
CID 143972453
3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 62441347
N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 65097132
N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
CID 122166208
3-ethoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 122166200
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine (CID 62730479) is N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(CC(C)CC)c1.
What is the InChIKey of N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is XROMAKCSGYHWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-10(3)8-14-9-11(7-13-14)6-12-5-2/h7,9-10,12H,4-6,8H2,1-3H3.
What are the key properties of N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylbutyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62730479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).