1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine

C15H28ClN3O — CID 103027455

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(Cl)c(C)nn1C)CC(C)(C)OC
InChIInChI=1S/C15H28ClN3O/c1-7-8-17-12(10-15(3,4)20-6)9-13-14(16)11(2)18-19(13)5/h12,17H,7-10H2,1-6H3
InChIKeyBNVDDTTXHRVUHS-UHFFFAOYSA-N
MW301.86 g/mol
LogP3.11
Rot. Bonds8

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

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 103027455) has the molecular formula C15H28ClN3O and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID103027455
Molecular FormulaC15H28ClN3O
Molecular Weight301.86 g/mol
Exact Mass301.19
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(Cl)c(C)nn1C)CC(C)(C)OC
InChIInChI=1S/C15H28ClN3O/c1-7-8-17-12(10-15(3,4)20-6)9-13-14(16)11(2)18-19(13)5/h12,17H,7-10H2,1-6H3
InChIKeyBNVDDTTXHRVUHS-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 103027455) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1c(Cl)c(C)nn1C)CC(C)(C)OC.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is BNVDDTTXHRVUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3O/c1-7-8-17-12(10-15(3,4)20-6)9-13-14(16)11(2)18-19(13)5/h12,17H,7-10H2,1-6H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 301.86 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 103027455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).