1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C16H29N3O — CID 102803909

IUPAC1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1cn(C)nc1C
InChIInChI=1S/C16H29N3O/c1-4-10-17-16(15-12-19(3)18-13(15)2)9-5-7-14-8-6-11-20-14/h12,14,16-17H,4-11H2,1-3H3
InChIKeyXHIZIXAFJSFBDA-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.12
Rot. Bonds8

About 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 102803909) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID102803909
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1cn(C)nc1C
InChIInChI=1S/C16H29N3O/c1-4-10-17-16(15-12-19(3)18-13(15)2)9-5-7-14-8-6-11-20-14/h12,14,16-17H,4-11H2,1-3H3
InChIKeyXHIZIXAFJSFBDA-UHFFFAOYSA-N
XLogP3.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 102803914
1-(3,6-dimethylpyridazin-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156981
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
1-(4-bromo-2-methylphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993197
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 82903491
1-(1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 102804304
1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65164814
1-(2-bromo-4-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107993677
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993486
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 102803909) is 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is XHIZIXAFJSFBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-10-17-16(15-12-19(3)18-13(15)2)9-5-7-14-8-6-11-20-14/h12,14,16-17H,4-11H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 102803909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).