N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine

C18H27N3 — CID 62797527

IUPACN-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(-c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C18H27N3/c1-7-8-19-15(5)17-11-20-21(16(17)6)18-13(3)9-12(2)10-14(18)4/h9-11,15,19H,7-8H2,1-6H3
InChIKeyPUDWAFIRFHOGCU-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.17
Rot. Bonds5

About N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine

N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 62797527) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID62797527
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(-c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C18H27N3/c1-7-8-19-15(5)17-11-20-21(16(17)6)18-13(3)9-12(2)10-14(18)4/h9-11,15,19H,7-8H2,1-6H3
InChIKeyPUDWAFIRFHOGCU-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine (CID 62797527) is N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1cnn(-c2c(C)cc(C)cc2C)c1C.
What is the InChIKey of N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is PUDWAFIRFHOGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-8-19-15(5)17-11-20-21(16(17)6)18-13(3)9-12(2)10-14(18)4/h9-11,15,19H,7-8H2,1-6H3.
What are the key properties of N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62797527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).