2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol

C12H16N4O — CID 114556816

IUPAC2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol
SMILESCCn1nccc1C(O)Cc1ccnc(N)c1
InChIInChI=1S/C12H16N4O/c1-2-16-10(4-6-15-16)11(17)7-9-3-5-14-12(13)8-9/h3-6,8,11,17H,2,7H2,1H3,(H2,13,14)
InChIKeyZJCRCPCTWHSTMM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.16
Rot. Bonds4

About 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol

2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol (PubChem CID 114556816) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol
PubChem CID114556816
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol
SMILESCCn1nccc1C(O)Cc1ccnc(N)c1
InChIInChI=1S/C12H16N4O/c1-2-16-10(4-6-15-16)11(17)7-9-3-5-14-12(13)8-9/h3-6,8,11,17H,2,7H2,1H3,(H2,13,14)
InChIKeyZJCRCPCTWHSTMM-UHFFFAOYSA-N
XLogP1.16
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 63975289
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
CID 115622254
2-(dimethylamino)-1-(2-ethylpyrazol-3-yl)ethanol
CID 79087393
1-(2-ethylpyrazol-3-yl)-2-(2-fluorophenyl)ethanol
CID 63977415
3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol
CID 112575631
1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol
CID 65129474
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359
4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 81492517
1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol
CID 103089951
1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol
CID 79087656
4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
CID 114663323
ethane;4-ethylpyridin-2-amine
CID 144736585

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol (CID 114556816) is 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol is CCn1nccc1C(O)Cc1ccnc(N)c1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol?
The InChIKey is ZJCRCPCTWHSTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-16-10(4-6-15-16)11(17)7-9-3-5-14-12(13)8-9/h3-6,8,11,17H,2,7H2,1H3,(H2,13,14).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol?
2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol has a molecular weight of 232.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114556816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).