N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine

C18H27N3 — CID 103030444

IUPACN-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCCNC(CCc1ccccc1C)CCc1ccnn1C
InChIInChI=1S/C18H27N3/c1-4-19-17(11-12-18-13-14-20-21(18)3)10-9-16-8-6-5-7-15(16)2/h5-8,13-14,17,19H,4,9-12H2,1-3H3
InChIKeyNGLVOGIASODHSO-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.27
Rot. Bonds8

About N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine

N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine (PubChem CID 103030444) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
PubChem CID103030444
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCCNC(CCc1ccccc1C)CCc1ccnn1C
InChIInChI=1S/C18H27N3/c1-4-19-17(11-12-18-13-14-20-21(18)3)10-9-16-8-6-5-7-15(16)2/h5-8,13-14,17,19H,4,9-12H2,1-3H3
InChIKeyNGLVOGIASODHSO-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186
1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103149610
N,5-diethyl-1-(2-methylphenyl)heptan-3-amine
CID 105176885
2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005013
N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
CID 103030436
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449
N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009289
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine (CID 103030444) is N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine is CCNC(CCc1ccccc1C)CCc1ccnn1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The InChIKey is NGLVOGIASODHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-19-17(11-12-18-13-14-20-21(18)3)10-9-16-8-6-5-7-15(16)2/h5-8,13-14,17,19H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine?
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine has a molecular weight of 285.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine is sourced from PubChem (CID 103030444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).