5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine

C15H28N4 — CID 66019488

IUPAC5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCCC(C)(C)CC2)c1N
InChIInChI=1S/C15H28N4/c1-5-7-12-13(16)14(18(4)17-12)19-10-6-8-15(2,3)9-11-19/h5-11,16H2,1-4H3
InChIKeyHTDFRVWVUGTXQH-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.97
Rot. Bonds3

About 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine

5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66019488) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine
PubChem CID66019488
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCCC(C)(C)CC2)c1N
InChIInChI=1S/C15H28N4/c1-5-7-12-13(16)14(18(4)17-12)19-10-6-8-15(2,3)9-11-19/h5-11,16H2,1-4H3
InChIKeyHTDFRVWVUGTXQH-UHFFFAOYSA-N
XLogP2.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine (CID 66019488) is 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(N2CCCC(C)(C)CC2)c1N.
What is the InChIKey of 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is HTDFRVWVUGTXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-7-12-13(16)14(18(4)17-12)19-10-6-8-15(2,3)9-11-19/h5-11,16H2,1-4H3.
What are the key properties of 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine?
5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 264.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66019488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).