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

C6H12N4O — CID 10197801

IUPAC2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(N)c1N
InChIInChI=1S/C6H12N4O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,7-8H2,1H3
InChIKeyQBOQGVXXIUOJRM-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.65
Rot. Bonds2

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

2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol (PubChem CID 10197801) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
PubChem CID10197801
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(N)c1N
InChIInChI=1S/C6H12N4O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,7-8H2,1H3
InChIKeyQBOQGVXXIUOJRM-UHFFFAOYSA-N
XLogP-0.65
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
CID 66769968
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-methylpyrazol-1-yl)ethanol;ethane
CID 177341984
2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol
CID 165499650
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
CID 163564562
2-(3-amino-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)ethanol
CID 105464329
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol
CID 43348896
2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol
CID 165499940
2-[4-(1-aminopropan-2-yl)-3,5-dimethylpyrazol-1-yl]ethanol
CID 105450996
3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
CID 50944289

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol (CID 10197801) is 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol is Cc1nn(CCO)c(N)c1N.
What is the InChIKey of 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol?
The InChIKey is QBOQGVXXIUOJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,7-8H2,1H3.
What are the key properties of 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol?
2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol has a molecular weight of 156.19 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol is sourced from PubChem (CID 10197801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).