N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine

C18H27N3 — CID 105104098

IUPACN-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
SMILESCCCn1cc(C(CCc2cccc(C)c2)NCC)cn1
InChIInChI=1S/C18H27N3/c1-4-11-21-14-17(13-20-21)18(19-5-2)10-9-16-8-6-7-15(3)12-16/h6-8,12-14,18-19H,4-5,9-11H2,1-3H3
InChIKeyDXNRNLDZTHEENR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.88
Rot. Bonds8

About N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine

N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine (PubChem CID 105104098) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
PubChem CID105104098
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
SMILESCCCn1cc(C(CCc2cccc(C)c2)NCC)cn1
InChIInChI=1S/C18H27N3/c1-4-11-21-14-17(13-20-21)18(19-5-2)10-9-16-8-6-7-15(3)12-16/h6-8,12-14,18-19H,4-5,9-11H2,1-3H3
InChIKeyDXNRNLDZTHEENR-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
2-(2,5-dimethylphenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807276
4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole
CID 167892385
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyridin-4-ylpropan-1-amine
CID 105109175
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 66161400
N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 105148148
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105183535
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 61459848
N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
CID 65195286
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 66053102

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine (CID 105104098) is N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine is CCCn1cc(C(CCc2cccc(C)c2)NCC)cn1.
What is the InChIKey of N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine?
The InChIKey is DXNRNLDZTHEENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-11-21-14-17(13-20-21)18(19-5-2)10-9-16-8-6-7-15(3)12-16/h6-8,12-14,18-19H,4-5,9-11H2,1-3H3.
What are the key properties of N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine?
N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105104098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).