1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine

C13H24N4O — CID 66018504

IUPAC1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCCOC(C)C2)c1N
InChIInChI=1S/C13H24N4O/c1-4-6-11-12(14)13(16(3)15-11)17-7-5-8-18-10(2)9-17/h10H,4-9,14H2,1-3H3
InChIKeyKQJBPLNZCFKEHF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.57
Rot. Bonds3

About 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine

1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine (PubChem CID 66018504) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine
PubChem CID66018504
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(N2CCCOC(C)C2)c1N
InChIInChI=1S/C13H24N4O/c1-4-6-11-12(14)13(16(3)15-11)17-7-5-8-18-10(2)9-17/h10H,4-9,14H2,1-3H3
InChIKeyKQJBPLNZCFKEHF-UHFFFAOYSA-N
XLogP1.57
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine (CID 66018504) is 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine is CCCc1nn(C)c(N2CCCOC(C)C2)c1N.
What is the InChIKey of 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine?
The InChIKey is KQJBPLNZCFKEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-6-11-12(14)13(16(3)15-11)17-7-5-8-18-10(2)9-17/h10H,4-9,14H2,1-3H3.
What are the key properties of 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine?
1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).