[2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone

C12H14N4O — CID 116601777

IUPAC[2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H14N4O/c1-2-16-11(4-6-15-16)12(17)9-3-5-14-10(7-9)8-13/h3-7H,2,8,13H2,1H3
InChIKeyLVNPBQHIEVAXPU-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.99
Rot. Bonds4

About [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone

[2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 116601777) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID116601777
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H14N4O/c1-2-16-11(4-6-15-16)12(17)9-3-5-14-10(7-9)8-13/h3-7H,2,8,13H2,1H3
InChIKeyLVNPBQHIEVAXPU-UHFFFAOYSA-N
XLogP0.99
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972489
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114972432
2,3-dihydro-1H-inden-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972424
(3-amino-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 116597326
1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972403
[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
CID 116601746
[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
CID 116548209
[1-(2-aminoethyl)imidazol-4-yl]-(2-ethylpyrazol-3-yl)methanone
CID 107501467
[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone
CID 116601786
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone (CID 116601777) is [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)c1ccnc(CN)c1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is LVNPBQHIEVAXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16-11(4-6-15-16)12(17)9-3-5-14-10(7-9)8-13/h3-7H,2,8,13H2,1H3.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone?
[2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 230.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 116601777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).