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

C5H9N3 — CID 4737029

IUPAC4,5-dimethyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1C
InChIInChI=1S/C5H9N3/c1-3-4(2)7-8-5(3)6/h1-2H3,(H3,6,7,8)
InChIKeyJYVPUGQZJRFFAF-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.61
Rot. Bonds

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

4,5-dimethyl-1H-pyrazol-3-amine (PubChem CID 4737029) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyrazol-3-amine
PubChem CID4737029
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name4,5-dimethyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1C
InChIInChI=1S/C5H9N3/c1-3-4(2)7-8-5(3)6/h1-2H3,(H3,6,7,8)
InChIKeyJYVPUGQZJRFFAF-UHFFFAOYSA-N
XLogP0.61
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrazol-3-amine?
The IUPAC name of 4,5-dimethyl-1H-pyrazol-3-amine (CID 4737029) is 4,5-dimethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4,5-dimethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4,5-dimethyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1C.
What is the InChIKey of 4,5-dimethyl-1H-pyrazol-3-amine?
The InChIKey is JYVPUGQZJRFFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-4(2)7-8-5(3)6/h1-2H3,(H3,6,7,8).
What are the key properties of 4,5-dimethyl-1H-pyrazol-3-amine?
4,5-dimethyl-1H-pyrazol-3-amine has a molecular weight of 111.15 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 4737029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).