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

C17H25N3 — CID 66441080

IUPACN-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1-c1ccccc1C
InChIInChI=1S/C17H25N3/c1-5-8-17-15(11-18-13(2)3)12-19-20(17)16-10-7-6-9-14(16)4/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3
InChIKeySUWLNPWIJLZREY-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.63
Rot. Bonds6

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

N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66441080) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID66441080
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1-c1ccccc1C
InChIInChI=1S/C17H25N3/c1-5-8-17-15(11-18-13(2)3)12-19-20(17)16-10-7-6-9-14(16)4/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3
InChIKeySUWLNPWIJLZREY-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine (CID 66441080) is N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine is CCCc1c(CNC(C)C)cnn1-c1ccccc1C.
What is the InChIKey of N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is SUWLNPWIJLZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-8-17-15(11-18-13(2)3)12-19-20(17)16-10-7-6-9-14(16)4/h6-7,9-10,12-13,18H,5,8,11H2,1-4H3.
What are the key properties of N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66441080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).