N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine

C17H25N3O — CID 66440776

IUPACN-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1-c1ccccc1OC
InChIInChI=1S/C17H25N3O/c1-5-8-15-14(11-18-13(2)3)12-19-20(15)16-9-6-7-10-17(16)21-4/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3
InChIKeyDYHNVWWXDMISBW-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.33
Rot. Bonds7

About N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine

N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66440776) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID66440776
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1-c1ccccc1OC
InChIInChI=1S/C17H25N3O/c1-5-8-15-14(11-18-13(2)3)12-19-20(15)16-9-6-7-10-17(16)21-4/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3
InChIKeyDYHNVWWXDMISBW-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441080
N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441179
N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440544
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441388
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442277
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 66439565
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 82527870
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
4-[(dipropylamino)methyl]-1-(2-methoxyphenyl)pyrazol-5-amine
CID 82171697
N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440336

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine (CID 66440776) is N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine is CCCc1c(CNC(C)C)cnn1-c1ccccc1OC.
What is the InChIKey of N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is DYHNVWWXDMISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-8-15-14(11-18-13(2)3)12-19-20(15)16-9-6-7-10-17(16)21-4/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66440776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).