N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

C13H19N5 — CID 102613087

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NCc1cnn(C)c1C
InChIInChI=1S/C13H19N5/c1-9-13(15-6-5-14-9)10(2)16-7-12-8-17-18(4)11(12)3/h5-6,8,10,16H,7H2,1-4H3
InChIKeyHVWPWSFAVMAMKG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.68
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102613087) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102613087
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NCc1cnn(C)c1C
InChIInChI=1S/C13H19N5/c1-9-13(15-6-5-14-9)10(2)16-7-12-8-17-18(4)11(12)3/h5-6,8,10,16H,7H2,1-4H3
InChIKeyHVWPWSFAVMAMKG-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 102613114
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 79579433
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103851647
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
1-(2,5-difluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79578537
(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (CID 102613087) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is Cc1nccnc1C(C)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is HVWPWSFAVMAMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-13(15-6-5-14-9)10(2)16-7-12-8-17-18(4)11(12)3/h5-6,8,10,16H,7H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102613087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).