2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol

C11H20N4O — CID 115300045

IUPAC2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCNC1CCN(Cc2cnn(CCO)c2)C1
InChIInChI=1S/C11H20N4O/c1-12-11-2-3-14(9-11)7-10-6-13-15(8-10)4-5-16/h6,8,11-12,16H,2-5,7,9H2,1H3
InChIKeyBINKOSCVCKQHDL-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.33
Rot. Bonds5

About 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 115300045) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID115300045
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCNC1CCN(Cc2cnn(CCO)c2)C1
InChIInChI=1S/C11H20N4O/c1-12-11-2-3-14(9-11)7-10-6-13-15(8-10)4-5-16/h6,8,11-12,16H,2-5,7,9H2,1H3
InChIKeyBINKOSCVCKQHDL-UHFFFAOYSA-N
XLogP-0.33
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830712
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 64829338
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054
2-[4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830908
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830711
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65063923
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]azepane-2-carboxylic acid
CID 65069711
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 115300045) is 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol is CNC1CCN(Cc2cnn(CCO)c2)C1.
What is the InChIKey of 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is BINKOSCVCKQHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-11-2-3-14(9-11)7-10-6-13-15(8-10)4-5-16/h6,8,11-12,16H,2-5,7,9H2,1H3.
What are the key properties of 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 224.31 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 115300045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).