1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine

C13H23N3 — CID 103724220

IUPAC1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCC1(NCc2cnn(C(C)C)c2)CCC1
InChIInChI=1S/C13H23N3/c1-4-13(6-5-7-13)14-8-12-9-15-16(10-12)11(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyMYSKXOBGICZPBW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.89
Rot. Bonds5

About 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine

1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 103724220) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID103724220
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCC1(NCc2cnn(C(C)C)c2)CCC1
InChIInChI=1S/C13H23N3/c1-4-13(6-5-7-13)14-8-12-9-15-16(10-12)11(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyMYSKXOBGICZPBW-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115673834
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine
CID 113347999
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine (CID 103724220) is 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine is CCC1(NCc2cnn(C(C)C)c2)CCC1.
What is the InChIKey of 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is MYSKXOBGICZPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-13(6-5-7-13)14-8-12-9-15-16(10-12)11(2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine?
1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103724220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).