N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine

C14H21N5 — CID 105150113

IUPACN-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1cc(CC)nn1C
InChIInChI=1S/C14H21N5/c1-4-6-17-14(12-10-15-7-8-16-12)13-9-11(5-2)18-19(13)3/h7-10,14,17H,4-6H2,1-3H3
InChIKeyFLSUGAMAWAYNFJ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.86
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 105150113) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID105150113
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnccn1)c1cc(CC)nn1C
InChIInChI=1S/C14H21N5/c1-4-6-17-14(12-10-15-7-8-16-12)13-9-11(5-2)18-19(13)3/h7-10,14,17H,4-6H2,1-3H3
InChIKeyFLSUGAMAWAYNFJ-UHFFFAOYSA-N
XLogP1.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149940
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149904
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286
N-[(3-ethyl-1-methylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104032
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105142319
N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106657172
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine
CID 105158441
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[pyrazin-2-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105150036
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine (CID 105150113) is N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cnccn1)c1cc(CC)nn1C.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is FLSUGAMAWAYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-6-17-14(12-10-15-7-8-16-12)13-9-11(5-2)18-19(13)3/h7-10,14,17H,4-6H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 105150113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).