N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine

C12H17N5 — CID 105149940

IUPACN-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cc(C)nn1C
InChIInChI=1S/C12H17N5/c1-4-14-12(10-8-13-5-6-15-10)11-7-9(2)16-17(11)3/h5-8,12,14H,4H2,1-3H3
InChIKeyKFEDNUWEJQNQPN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.22
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine

N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 105149940) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID105149940
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cc(C)nn1C
InChIInChI=1S/C12H17N5/c1-4-14-12(10-8-13-5-6-15-10)11-7-9(2)16-17(11)3/h5-8,12,14H,4H2,1-3H3
InChIKeyKFEDNUWEJQNQPN-UHFFFAOYSA-N
XLogP1.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 105150113
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 63974892
N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105150060
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149998
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
N-[(2,6-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105188698
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142391

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine (CID 105149940) is N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is KFEDNUWEJQNQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-14-12(10-8-13-5-6-15-10)11-7-9(2)16-17(11)3/h5-8,12,14H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine?
N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 105149940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).