3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine

C15H28N4 — CID 66013850

IUPAC3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
SMILESCCCC1CCCN(c2c(N)c(CC)nn2C)CC1
InChIInChI=1S/C15H28N4/c1-4-7-12-8-6-10-19(11-9-12)15-14(16)13(5-2)17-18(15)3/h12H,4-11,16H2,1-3H3
InChIKeyXCXKVRSULSVNCE-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.97
Rot. Bonds4

About 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine

3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine (PubChem CID 66013850) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
PubChem CID66013850
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
SMILESCCCC1CCCN(c2c(N)c(CC)nn2C)CC1
InChIInChI=1S/C15H28N4/c1-4-7-12-8-6-10-19(11-9-12)15-14(16)13(5-2)17-18(15)3/h12H,4-11,16H2,1-3H3
InChIKeyXCXKVRSULSVNCE-UHFFFAOYSA-N
XLogP2.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine (CID 66013850) is 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine is CCCC1CCCN(c2c(N)c(CC)nn2C)CC1.
What is the InChIKey of 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine?
The InChIKey is XCXKVRSULSVNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-7-12-8-6-10-19(11-9-12)15-14(16)13(5-2)17-18(15)3/h12H,4-11,16H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine?
3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine has a molecular weight of 264.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine is sourced from PubChem (CID 66013850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).