3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol

C13H24ClN3O — CID 113293882

IUPAC3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCCc1nn(CC)c(CNCC(C)(C)CO)c1Cl
InChIInChI=1S/C13H24ClN3O/c1-5-10-12(14)11(17(6-2)16-10)7-15-8-13(3,4)9-18/h15,18H,5-9H2,1-4H3
InChIKeyJGQAFNJCKNSWAK-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.23
Rot. Bonds7

About 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol

3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 113293882) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
PubChem CID113293882
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCCc1nn(CC)c(CNCC(C)(C)CO)c1Cl
InChIInChI=1S/C13H24ClN3O/c1-5-10-12(14)11(17(6-2)16-10)7-15-8-13(3,4)9-18/h15,18H,5-9H2,1-4H3
InChIKeyJGQAFNJCKNSWAK-UHFFFAOYSA-N
XLogP2.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186716
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026711
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293848
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186937
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186709
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455672
5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol
CID 114147580
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966491
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-methylbut-3-en-1-ol
CID 102641943
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104808
methyl 2-bromo-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]propanoate
CID 103492239
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-7-methyloctan-1-amine
CID 107815099

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol (CID 113293882) is 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol is CCc1nn(CC)c(CNCC(C)(C)CO)c1Cl.
What is the InChIKey of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is JGQAFNJCKNSWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-5-10-12(14)11(17(6-2)16-10)7-15-8-13(3,4)9-18/h15,18H,5-9H2,1-4H3.
What are the key properties of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 273.81 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 113293882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).