N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine

C16H23N3 — CID 105410059

IUPACN-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
SMILESCCCn1cc(-c2cc(CNC)ccc2C)c(C)n1
InChIInChI=1S/C16H23N3/c1-5-8-19-11-16(13(3)18-19)15-9-14(10-17-4)7-6-12(15)2/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyZPNKWELLVPJQPG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.30
Rot. Bonds5

About N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine

N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine (PubChem CID 105410059) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
PubChem CID105410059
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
SMILESCCCn1cc(-c2cc(CNC)ccc2C)c(C)n1
InChIInChI=1S/C16H23N3/c1-5-8-19-11-16(13(3)18-19)15-9-14(10-17-4)7-6-12(15)2/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyZPNKWELLVPJQPG-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine (CID 105410059) is N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine is CCCn1cc(-c2cc(CNC)ccc2C)c(C)n1.
What is the InChIKey of N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is ZPNKWELLVPJQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-8-19-11-16(13(3)18-19)15-9-14(10-17-4)7-6-12(15)2/h6-7,9,11,17H,5,8,10H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 105410059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).