4,5-diethyl-1H-pyrazol-3-amine

C7H13N3 — CID 19002169

IUPAC4,5-diethyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1CC
InChIInChI=1S/C7H13N3/c1-3-5-6(4-2)9-10-7(5)8/h3-4H2,1-2H3,(H3,8,9,10)
InChIKeyVQRRWJGAKXHHEI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.12
Rot. Bonds2

About 4,5-diethyl-1H-pyrazol-3-amine

4,5-diethyl-1H-pyrazol-3-amine (PubChem CID 19002169) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4,5-diethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4,5-diethyl-1H-pyrazol-3-amine
PubChem CID19002169
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4,5-diethyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1CC
InChIInChI=1S/C7H13N3/c1-3-5-6(4-2)9-10-7(5)8/h3-4H2,1-2H3,(H3,8,9,10)
InChIKeyVQRRWJGAKXHHEI-UHFFFAOYSA-N
XLogP1.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1H-pyrazol-3-amine?
The IUPAC name of 4,5-diethyl-1H-pyrazol-3-amine (CID 19002169) is 4,5-diethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4,5-diethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4,5-diethyl-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1CC.
What is the InChIKey of 4,5-diethyl-1H-pyrazol-3-amine?
The InChIKey is VQRRWJGAKXHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-5-6(4-2)9-10-7(5)8/h3-4H2,1-2H3,(H3,8,9,10).
What are the key properties of 4,5-diethyl-1H-pyrazol-3-amine?
4,5-diethyl-1H-pyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 19002169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).