N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine

C16H24N4 — CID 102812507

IUPACN-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1cn(C)nc1CC
InChIInChI=1S/C16H24N4/c1-4-9-18-16(11-13-8-6-7-10-17-13)14-12-20(3)19-15(14)5-2/h6-8,10,12,16,18H,4-5,9,11H2,1-3H3
InChIKeyUXGGXRXIARADKI-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.66
Rot. Bonds7

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

N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine (PubChem CID 102812507) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
PubChem CID102812507
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1cn(C)nc1CC
InChIInChI=1S/C16H24N4/c1-4-9-18-16(11-13-8-6-7-10-17-13)14-12-20(3)19-15(14)5-2/h6-8,10,12,16,18H,4-5,9,11H2,1-3H3
InChIKeyUXGGXRXIARADKI-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102803943
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 105158151
N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 114687156
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 102803941
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652
1-(3-ethyl-1-methylpyrazol-4-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 102812433
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine (CID 102812507) is N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1ccccn1)c1cn(C)nc1CC.
What is the InChIKey of N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is UXGGXRXIARADKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-9-18-16(11-13-8-6-7-10-17-13)14-12-20(3)19-15(14)5-2/h6-8,10,12,16,18H,4-5,9,11H2,1-3H3.
What are the key properties of N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 102812507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).