1-ethyl-5-N-propylpyrazole-4,5-diamine

C8H16N4 — CID 13007222

IUPAC1-ethyl-5-N-propylpyrazole-4,5-diamine
SMILESCCCNc1c(N)cnn1CC
InChIInChI=1S/C8H16N4/c1-3-5-10-8-7(9)6-11-12(8)4-2/h6,10H,3-5,9H2,1-2H3
InChIKeyPOWDNBVNCVKDFC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.31
Rot. Bonds4

About 1-ethyl-5-N-propylpyrazole-4,5-diamine

1-ethyl-5-N-propylpyrazole-4,5-diamine (PubChem CID 13007222) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-ethyl-5-N-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N-propylpyrazole-4,5-diamine
PubChem CID13007222
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-ethyl-5-N-propylpyrazole-4,5-diamine
SMILESCCCNc1c(N)cnn1CC
InChIInChI=1S/C8H16N4/c1-3-5-10-8-7(9)6-11-12(8)4-2/h6,10H,3-5,9H2,1-2H3
InChIKeyPOWDNBVNCVKDFC-UHFFFAOYSA-N
XLogP1.31
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N-propylpyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N-propylpyrazole-4,5-diamine (CID 13007222) is 1-ethyl-5-N-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N-propylpyrazole-4,5-diamine is CCCNc1c(N)cnn1CC.
What is the InChIKey of 1-ethyl-5-N-propylpyrazole-4,5-diamine?
The InChIKey is POWDNBVNCVKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-5-10-8-7(9)6-11-12(8)4-2/h6,10H,3-5,9H2,1-2H3.
What are the key properties of 1-ethyl-5-N-propylpyrazole-4,5-diamine?
1-ethyl-5-N-propylpyrazole-4,5-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N-propylpyrazole-4,5-diamine is sourced from PubChem (CID 13007222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).