1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine

C15H26ClN3O — CID 105035142

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCCO1)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-11-14(15(16)19(3)18-11)10-12(17-2)7-8-13-6-4-5-9-20-13/h12-13,17H,4-10H2,1-3H3
InChIKeyBHAVWPIWKXUHDO-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.86
Rot. Bonds6

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine (PubChem CID 105035142) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
PubChem CID105035142
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCCO1)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-11-14(15(16)19(3)18-11)10-12(17-2)7-8-13-6-4-5-9-20-13/h12-13,17H,4-10H2,1-3H3
InChIKeyBHAVWPIWKXUHDO-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105034892
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 104996517
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(oxan-2-yl)butan-2-one
CID 115799746
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 113470313
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105034953
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105025317
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 104994465
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
CID 105000109

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine (CID 105035142) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine is CNC(CCC1CCCCO1)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine?
The InChIKey is BHAVWPIWKXUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-11-14(15(16)19(3)18-11)10-12(17-2)7-8-13-6-4-5-9-20-13/h12-13,17H,4-10H2,1-3H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine has a molecular weight of 299.85 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 105035142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).