N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine

C15H22N4 — CID 114878627

IUPACN-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1cnccc1C
InChIInChI=1S/C15H22N4/c1-4-6-17-15(8-13-9-18-19(3)11-13)14-10-16-7-5-12(14)2/h5,7,9-11,15,17H,4,6,8H2,1-3H3
InChIKeyMPKYJJZLIIFOMB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 114878627) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID114878627
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1cnccc1C
InChIInChI=1S/C15H22N4/c1-4-6-17-15(8-13-9-18-19(3)11-13)14-10-16-7-5-12(14)2/h5,7,9-11,15,17H,4,6,8H2,1-3H3
InChIKeyMPKYJJZLIIFOMB-UHFFFAOYSA-N
XLogP2.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274194
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126627
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
N-[2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115821369
2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877993
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105114314
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878534
[2-(1-methylpyrazol-4-yl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261883
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 114878627) is N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1cnn(C)c1)c1cnccc1C.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is MPKYJJZLIIFOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-6-17-15(8-13-9-18-19(3)11-13)14-10-16-7-5-12(14)2/h5,7,9-11,15,17H,4,6,8H2,1-3H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 114878627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).