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

C12H21N3 — CID 65195044

IUPACN-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2cnn(C)c2)CCC1
InChIInChI=1S/C12H21N3/c1-3-13-10-12(5-4-6-12)7-11-8-14-15(2)9-11/h8-9,13H,3-7,10H2,1-2H3
InChIKeyDYTGLEIMLMJQTH-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds5

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

N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 65195044) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID65195044
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2cnn(C)c2)CCC1
InChIInChI=1S/C12H21N3/c1-3-13-10-12(5-4-6-12)7-11-8-14-15(2)9-11/h8-9,13H,3-7,10H2,1-2H3
InChIKeyDYTGLEIMLMJQTH-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
CID 66033317
4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 66035579
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
4-[[1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 66034449
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71920840

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine (CID 65195044) is N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1(Cc2cnn(C)c2)CCC1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is DYTGLEIMLMJQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-13-10-12(5-4-6-12)7-11-8-14-15(2)9-11/h8-9,13H,3-7,10H2,1-2H3.
What are the key properties of N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine?
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65195044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).