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

C18H27N3 — CID 62731250

IUPACN-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H27N3/c1-6-7-19-16(5)17-10-20-21(11-17)12-18-14(3)8-13(2)9-15(18)4/h8-11,16,19H,6-7,12H2,1-5H3
InChIKeyRWVFUZZRUILJOV-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.92
Rot. Bonds6

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

N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 62731250) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID62731250
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H27N3/c1-6-7-19-16(5)17-10-20-21(11-17)12-18-14(3)8-13(2)9-15(18)4/h8-11,16,19H,6-7,12H2,1-5H3
InChIKeyRWVFUZZRUILJOV-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62731611
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
N-[1-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732148
N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62729973
N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172
N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine
CID 114265888
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 102900643
N-[1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 116790465
N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62797527
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712805
N-[1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732152
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115704376

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (CID 62731250) is N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1cnn(Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is RWVFUZZRUILJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-7-19-16(5)17-10-20-21(11-17)12-18-14(3)8-13(2)9-15(18)4/h8-11,16,19H,6-7,12H2,1-5H3.
What are the key properties of N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62731250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).