N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine

C17H25N3 — CID 66442382

IUPACN-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine
SMILESCCCc1c(CNC)cnn1-c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25N3/c1-6-7-16-15(10-18-5)11-19-20(16)17-13(3)8-12(2)9-14(17)4/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyPDCCWXMSDJMFDS-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine

N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine (PubChem CID 66442382) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine
PubChem CID66442382
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine
SMILESCCCc1c(CNC)cnn1-c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25N3/c1-6-7-16-15(10-18-5)11-19-20(16)17-13(3)8-12(2)9-14(17)4/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyPDCCWXMSDJMFDS-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine (CID 66442382) is N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine is CCCc1c(CNC)cnn1-c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is PDCCWXMSDJMFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-7-16-15(10-18-5)11-19-20(16)17-13(3)8-12(2)9-14(17)4/h8-9,11,18H,6-7,10H2,1-5H3.
What are the key properties of N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine?
N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 66442382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).