2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol

C9H17N3O2 — CID 115762526

IUPAC2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
SMILESCCn1nccc1CNC(CO)CO
InChIInChI=1S/C9H17N3O2/c1-2-12-9(3-4-11-12)5-10-8(6-13)7-14/h3-4,8,10,13-14H,2,5-7H2,1H3
InChIKeyLKJBXPIAYLMYPF-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.65
Rot. Bonds6

About 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol

2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol (PubChem CID 115762526) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
PubChem CID115762526
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
SMILESCCn1nccc1CNC(CO)CO
InChIInChI=1S/C9H17N3O2/c1-2-12-9(3-4-11-12)5-10-8(6-13)7-14/h3-4,8,10,13-14H,2,5-7H2,1H3
InChIKeyLKJBXPIAYLMYPF-UHFFFAOYSA-N
XLogP-0.65
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 107862442
3-cyclopropyl-3-[(2-ethylpyrazol-3-yl)methylamino]propan-1-ol
CID 115762505
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701
2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
CID 115762417
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438
2-[2-[(2-ethylpyrazol-3-yl)methylamino]ethoxy]ethanol
CID 75525234
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115762300

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol (CID 115762526) is 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol is CCn1nccc1CNC(CO)CO.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol?
The InChIKey is LKJBXPIAYLMYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-12-9(3-4-11-12)5-10-8(6-13)7-14/h3-4,8,10,13-14H,2,5-7H2,1H3.
What are the key properties of 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol?
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol has a molecular weight of 199.25 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 115762526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).