2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol

C11H22N4O — CID 103078277

IUPAC2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nn(C)cc1N
InChIInChI=1S/C11H22N4O/c1-4-9(5-2)15(6-7-16)11-10(12)8-14(3)13-11/h8-9,16H,4-7,12H2,1-3H3
InChIKeyZHCZWVQLNDHCOY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.99
Rot. Bonds6

About 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol

2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol (PubChem CID 103078277) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol
PubChem CID103078277
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nn(C)cc1N
InChIInChI=1S/C11H22N4O/c1-4-9(5-2)15(6-7-16)11-10(12)8-14(3)13-11/h8-9,16H,4-7,12H2,1-3H3
InChIKeyZHCZWVQLNDHCOY-UHFFFAOYSA-N
XLogP0.99
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103187585
2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478379
3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103077816
2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
CID 62131662
4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
CID 79483753
3-N,1-dimethyl-3-N-(2-methylbutan-2-yl)pyrazole-3,4-diamine
CID 103078545
4-amino-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 65359362
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114045772
3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
CID 103078693
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 63271902
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
2-(3-amino-4-nitro-N-pentan-3-ylanilino)ethanol
CID 106751588

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol (CID 103078277) is 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nn(C)cc1N.
What is the InChIKey of 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol?
The InChIKey is ZHCZWVQLNDHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-9(5-2)15(6-7-16)11-10(12)8-14(3)13-11/h8-9,16H,4-7,12H2,1-3H3.
What are the key properties of 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol?
2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol has a molecular weight of 226.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 103078277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).