3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine

C14H24ClN3O — CID 106469534

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-4-6-16-13-5-7-19-9-11(13)8-12-10(2)17-18(3)14(12)15/h11,13,16H,4-9H2,1-3H3
InChIKeyOLBSWMQYDHZZHY-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.33
Rot. Bonds5

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine (PubChem CID 106469534) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine
PubChem CID106469534
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-4-6-16-13-5-7-19-9-11(13)8-12-10(2)17-18(3)14(12)15/h11,13,16H,4-9H2,1-3H3
InChIKeyOLBSWMQYDHZZHY-UHFFFAOYSA-N
XLogP2.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148024
1-(4-Chloro-1,3-diethylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148099
1-(5-Chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148175
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148268
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148293
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148417
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148430
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148510
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148632
1-(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148895
1-(4-Chloro-1,3-diethylpyrazol-5-yl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148991
1-(5-Chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103149075

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine (CID 106469534) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine?
The InChIKey is OLBSWMQYDHZZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-4-6-16-13-5-7-19-9-11(13)8-12-10(2)17-18(3)14(12)15/h11,13,16H,4-9H2,1-3H3.
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine has a molecular weight of 285.82 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 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)methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 106469534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).