2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol

C6H12N4O2 — CID 66769968

IUPAC2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
SMILESCOc1nn(CCO)c(N)c1N
InChIInChI=1S/C6H12N4O2/c1-12-6-4(7)5(8)10(9-6)2-3-11/h11H,2-3,7-8H2,1H3
InChIKeySGRCTXYUYLTZCV-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.95
Rot. Bonds3

About 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol

2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol (PubChem CID 66769968) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
PubChem CID66769968
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
SMILESCOc1nn(CCO)c(N)c1N
InChIInChI=1S/C6H12N4O2/c1-12-6-4(7)5(8)10(9-6)2-3-11/h11H,2-3,7-8H2,1H3
InChIKeySGRCTXYUYLTZCV-UHFFFAOYSA-N
XLogP-0.95
TPSA99.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
CID 10197801
2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol
CID 141046532
2-[4,5-diamino-3-(4-methylphenyl)pyrazol-1-yl]ethanol
CID 23496372
2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol
CID 165499650
2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane
CID 177341984
methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 102808136
ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol
CID 170573597
1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine
CID 66897713
2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 165499656
5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide
CID 11401662
2-(3-amino-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)ethanol
CID 105464329
2-[5-amino-3-(3-methoxy-4-pyridinyl)pyrazol-1-yl]ethanol
CID 105063635

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol?
The IUPAC name of 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol (CID 66769968) is 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol is COc1nn(CCO)c(N)c1N.
What is the InChIKey of 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol?
The InChIKey is SGRCTXYUYLTZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-12-6-4(7)5(8)10(9-6)2-3-11/h11H,2-3,7-8H2,1H3.
What are the key properties of 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol?
2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol has a molecular weight of 172.19 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol is sourced from PubChem (CID 66769968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).