3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine

C8H14N4 — CID 90481054

IUPAC3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine
SMILESCCn1cc(N)c(NC2CC2)n1
InChIInChI=1S/C8H14N4/c1-2-12-5-7(9)8(11-12)10-6-3-4-6/h5-6H,2-4,9H2,1H3,(H,10,11)
InChIKeySROHWBNYRMCKNV-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.06
Rot. Bonds3

About 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine

3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine (PubChem CID 90481054) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine
PubChem CID90481054
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine
SMILESCCn1cc(N)c(NC2CC2)n1
InChIInChI=1S/C8H14N4/c1-2-12-5-7(9)8(11-12)10-6-3-4-6/h5-6H,2-4,9H2,1H3,(H,10,11)
InChIKeySROHWBNYRMCKNV-UHFFFAOYSA-N
XLogP1.06
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine (CID 90481054) is 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine is CCn1cc(N)c(NC2CC2)n1.
What is the InChIKey of 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine?
The InChIKey is SROHWBNYRMCKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-12-5-7(9)8(11-12)10-6-3-4-6/h5-6H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine?
3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine has a molecular weight of 166.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine is sourced from PubChem (CID 90481054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).