2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol

C10H18ClN3O2 — CID 115655448

IUPAC2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
SMILESCCc1nn(C)c(Cl)c1CNC(CO)CO
InChIInChI=1S/C10H18ClN3O2/c1-3-9-8(10(11)14(2)13-9)4-12-7(5-15)6-16/h7,12,15-16H,3-6H2,1-2H3
InChIKeyFZEOJRNIQITGGI-UHFFFAOYSA-N
MW247.73 g/mol
LogP0.08
Rot. Bonds6

About 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol

2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol (PubChem CID 115655448) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
PubChem CID115655448
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
SMILESCCc1nn(C)c(Cl)c1CNC(CO)CO
InChIInChI=1S/C10H18ClN3O2/c1-3-9-8(10(11)14(2)13-9)4-12-7(5-15)6-16/h7,12,15-16H,3-6H2,1-2H3
InChIKeyFZEOJRNIQITGGI-UHFFFAOYSA-N
XLogP0.08
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469232
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579370
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115732900
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 115630423
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
CID 83880828
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111421651
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924571
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 111421648
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol (CID 115655448) is 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol is CCc1nn(C)c(Cl)c1CNC(CO)CO.
What is the InChIKey of 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol?
The InChIKey is FZEOJRNIQITGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-3-9-8(10(11)14(2)13-9)4-12-7(5-15)6-16/h7,12,15-16H,3-6H2,1-2H3.
What are the key properties of 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol?
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol has a molecular weight of 247.73 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 115655448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).