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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).