6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one

C14H24ClN3O — CID 114669598

IUPAC6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)CCC(CC)CCN
InChIInChI=1S/C14H24ClN3O/c1-3-9-18-14(12(15)10-17-18)13(19)6-5-11(4-2)7-8-16/h10-11H,3-9,16H2,1-2H3
InChIKeyAZNMLJHWPUVTIG-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.28
Rot. Bonds9

About 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one

6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one (PubChem CID 114669598) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
PubChem CID114669598
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)CCC(CC)CCN
InChIInChI=1S/C14H24ClN3O/c1-3-9-18-14(12(15)10-17-18)13(19)6-5-11(4-2)7-8-16/h10-11H,3-9,16H2,1-2H3
InChIKeyAZNMLJHWPUVTIG-UHFFFAOYSA-N
XLogP3.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114671285
6-amino-1-(4-bromo-1-propylpyrazol-5-yl)-4-methylhexan-1-one
CID 114669755
3-(aminomethyl)-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-1-one
CID 114670477
2-(aminomethyl)-1-(4-chloro-1-propylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669398
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 114640482
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
CID 114639261
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105131020
1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
CID 105130900

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one?
The IUPAC name of 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one (CID 114669598) is 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one.
What is the SMILES notation for 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one?
The canonical SMILES for 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one is CCCn1ncc(Cl)c1C(=O)CCC(CC)CCN.
What is the InChIKey of 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one?
The InChIKey is AZNMLJHWPUVTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-9-18-14(12(15)10-17-18)13(19)6-5-11(4-2)7-8-16/h10-11H,3-9,16H2,1-2H3.
What are the key properties of 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one?
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one has a molecular weight of 285.82 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one is sourced from PubChem (CID 114669598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).