1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine

C15H28N4 — CID 116651261

IUPAC1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
SMILESCCn1nc(C)c(C(C)N(C)C(CN)C2CC2)c1C
InChIInChI=1S/C15H28N4/c1-6-19-12(4)15(10(2)17-19)11(3)18(5)14(9-16)13-7-8-13/h11,13-14H,6-9,16H2,1-5H3
InChIKeyPDZNXOYXCOUQRD-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.25
Rot. Bonds6

About 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine

1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 116651261) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
PubChem CID116651261
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
SMILESCCn1nc(C)c(C(C)N(C)C(CN)C2CC2)c1C
InChIInChI=1S/C15H28N4/c1-6-19-12(4)15(10(2)17-19)11(3)18(5)14(9-16)13-7-8-13/h11,13-14H,6-9,16H2,1-5H3
InChIKeyPDZNXOYXCOUQRD-UHFFFAOYSA-N
XLogP2.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine (CID 116651261) is 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine is CCn1nc(C)c(C(C)N(C)C(CN)C2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is PDZNXOYXCOUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-19-12(4)15(10(2)17-19)11(3)18(5)14(9-16)13-7-8-13/h11,13-14H,6-9,16H2,1-5H3.
What are the key properties of 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).