N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine

C12H17N5 — CID 63974892

IUPACN-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1ccnn1CC
InChIInChI=1S/C12H17N5/c1-3-14-12(10-9-13-7-8-15-10)11-5-6-16-17(11)4-2/h5-9,12,14H,3-4H2,1-2H3
InChIKeyCROOETOMVULTAH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.39
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine

N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 63974892) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID63974892
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1ccnn1CC
InChIInChI=1S/C12H17N5/c1-3-14-12(10-9-13-7-8-15-10)11-5-6-16-17(11)4-2/h5-9,12,14H,3-4H2,1-2H3
InChIKeyCROOETOMVULTAH-UHFFFAOYSA-N
XLogP1.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 63975523
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149940
N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149998
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792297
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine (CID 63974892) is N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is CROOETOMVULTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-14-12(10-9-13-7-8-15-10)11-5-6-16-17(11)4-2/h5-9,12,14H,3-4H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine?
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 63974892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).