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

C10H19N3O2 — CID 115876423

IUPAC2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ccn(C)n1
InChIInChI=1S/C10H19N3O2/c1-3-10(7-14,8-15)11-6-9-4-5-13(2)12-9/h4-5,11,14-15H,3,6-8H2,1-2H3
InChIKeyAAUBFEHLODIHGP-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.36
Rot. Bonds6

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

2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol (PubChem CID 115876423) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol
PubChem CID115876423
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ccn(C)n1
InChIInChI=1S/C10H19N3O2/c1-3-10(7-14,8-15)11-6-9-4-5-13(2)12-9/h4-5,11,14-15H,3,6-8H2,1-2H3
InChIKeyAAUBFEHLODIHGP-UHFFFAOYSA-N
XLogP-0.36
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 113343469
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CID 62517107
2-ethyl-2-(pyrimidin-4-ylmethylamino)propane-1,3-diol
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2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291
1-ethyl-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571839
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CID 82881591
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 115656668
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
[1-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 82866192
3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649017
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
CID 82871026
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol (CID 115876423) is 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1ccn(C)n1.
What is the InChIKey of 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol?
The InChIKey is AAUBFEHLODIHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-10(7-14,8-15)11-6-9-4-5-13(2)12-9/h4-5,11,14-15H,3,6-8H2,1-2H3.
What are the key properties of 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol has a molecular weight of 213.28 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 115876423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).