N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine

C17H25N3 — CID 66010129

IUPACN-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
SMILESCCCc1nn(C)cc1-c1ccccc1CNC(C)C
InChIInChI=1S/C17H25N3/c1-5-8-17-16(12-20(4)19-17)15-10-7-6-9-14(15)11-18-13(2)3/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3
InChIKeyCJMHGMRNNGBHEF-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.54
Rot. Bonds6

About N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine

N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine (PubChem CID 66010129) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
PubChem CID66010129
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
SMILESCCCc1nn(C)cc1-c1ccccc1CNC(C)C
InChIInChI=1S/C17H25N3/c1-5-8-17-16(12-20(4)19-17)15-10-7-6-9-14(15)11-18-13(2)3/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3
InChIKeyCJMHGMRNNGBHEF-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158284
N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
CID 106888845
N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66008721
N-[[5-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158084
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485379
[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084
N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
CID 54910961
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115885307
1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine
CID 66009726
N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
CID 106888846
N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine
CID 164958671
N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485539

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine (CID 66010129) is N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine is CCCc1nn(C)cc1-c1ccccc1CNC(C)C.
What is the InChIKey of N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine?
The InChIKey is CJMHGMRNNGBHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-8-17-16(12-20(4)19-17)15-10-7-6-9-14(15)11-18-13(2)3/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3.
What are the key properties of N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine?
N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66010129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).