N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine

C17H23N3O — CID 131910912

IUPACN-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine
SMILESCOCC1(CNCc2ccnn2-c2ccccc2)CCC1
InChIInChI=1S/C17H23N3O/c1-21-14-17(9-5-10-17)13-18-12-16-8-11-19-20(16)15-6-3-2-4-7-15/h2-4,6-8,11,18H,5,9-10,12-14H2,1H3
InChIKeyJWIVCDVFENMEBT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.78
Rot. Bonds7

About N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine

N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 131910912) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine
PubChem CID131910912
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine
SMILESCOCC1(CNCc2ccnn2-c2ccccc2)CCC1
InChIInChI=1S/C17H23N3O/c1-21-14-17(9-5-10-17)13-18-12-16-8-11-19-20(16)15-6-3-2-4-7-15/h2-4,6-8,11,18H,5,9-10,12-14H2,1H3
InChIKeyJWIVCDVFENMEBT-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine (CID 131910912) is N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine is COCC1(CNCc2ccnn2-c2ccccc2)CCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is JWIVCDVFENMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-14-17(9-5-10-17)13-18-12-16-8-11-19-20(16)15-6-3-2-4-7-15/h2-4,6-8,11,18H,5,9-10,12-14H2,1H3.
What are the key properties of N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine?
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 131910912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).