1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine

C13H24N4 — CID 103078569

IUPAC1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine
SMILESCCCC1CCCN(c2nn(C)cc2N)CC1
InChIInChI=1S/C13H24N4/c1-3-5-11-6-4-8-17(9-7-11)13-12(14)10-16(2)15-13/h10-11H,3-9,14H2,1-2H3
InChIKeyINJXJHGNUNXJHC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.41
Rot. Bonds3

About 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine

1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine (PubChem CID 103078569) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine
PubChem CID103078569
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine
SMILESCCCC1CCCN(c2nn(C)cc2N)CC1
InChIInChI=1S/C13H24N4/c1-3-5-11-6-4-8-17(9-7-11)13-12(14)10-16(2)15-13/h10-11H,3-9,14H2,1-2H3
InChIKeyINJXJHGNUNXJHC-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine (CID 103078569) is 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine is CCCC1CCCN(c2nn(C)cc2N)CC1.
What is the InChIKey of 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine?
The InChIKey is INJXJHGNUNXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-5-11-6-4-8-17(9-7-11)13-12(14)10-16(2)15-13/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine?
1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine is sourced from PubChem (CID 103078569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).