3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol

C14H26ClN3O — CID 111498743

IUPAC3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol
SMILESCCC(CC)(CCO)CNCc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H26ClN3O/c1-5-14(6-2,7-8-19)10-16-9-12-11(3)17-18(4)13(12)15/h16,19H,5-10H2,1-4H3
InChIKeyYDWCIMYIRDLWKZ-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.66
Rot. Bonds8

About 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol

3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol (PubChem CID 111498743) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol.

Molecular Properties

Compound Name3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol
PubChem CID111498743
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol
SMILESCCC(CC)(CCO)CNCc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H26ClN3O/c1-5-14(6-2,7-8-19)10-16-9-12-11(3)17-18(4)13(12)15/h16,19H,5-10H2,1-4H3
InChIKeyYDWCIMYIRDLWKZ-UHFFFAOYSA-N
XLogP2.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 115621471
2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256469
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103839012
2-[1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750158
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629590
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 115576208
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 115576248
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376
2-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpentan-1-amine
CID 107155986
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
CID 115584824
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol?
The IUPAC name of 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol (CID 111498743) is 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol.
What is the SMILES notation for 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol?
The canonical SMILES for 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol is CCC(CC)(CCO)CNCc1c(C)nn(C)c1Cl.
What is the InChIKey of 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol?
The InChIKey is YDWCIMYIRDLWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-5-14(6-2,7-8-19)10-16-9-12-11(3)17-18(4)13(12)15/h16,19H,5-10H2,1-4H3.
What are the key properties of 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol?
3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol has a molecular weight of 287.83 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol is sourced from PubChem (CID 111498743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).