N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C17H25N3 — CID 65200711

IUPACN-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cc1)c1cnn(C)c1
InChIInChI=1S/C17H25N3/c1-4-10-18-17(16-12-19-20(3)13-16)11-15-8-6-14(5-2)7-9-15/h6-9,12-13,17-18H,4-5,10-11H2,1-3H3
InChIKeyPTAKZRXKSOXBML-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 65200711) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID65200711
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cc1)c1cnn(C)c1
InChIInChI=1S/C17H25N3/c1-4-10-18-17(16-12-19-20(3)13-16)11-15-8-6-14(5-2)7-9-15/h6-9,12-13,17-18H,4-5,10-11H2,1-3H3
InChIKeyPTAKZRXKSOXBML-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497238
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-[2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62902240
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[1-(4-ethylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethyl]propan-1-amine
CID 64628363
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126627
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113863
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 65200711) is N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)cc1)c1cnn(C)c1.
What is the InChIKey of N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is PTAKZRXKSOXBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-18-17(16-12-19-20(3)13-16)11-15-8-6-14(5-2)7-9-15/h6-9,12-13,17-18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65200711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).