3-N-methyl-1H-pyrazole-3,5-diamine

C4H8N4 — CID 83864197

IUPAC3-N-methyl-1H-pyrazole-3,5-diamine
SMILESCNc1cc(N)[nH]n1
InChIInChI=1S/C4H8N4/c1-6-4-2-3(5)7-8-4/h2H,1H3,(H4,5,6,7,8)
InChIKeyPYNVVGZLBWIHSP-UHFFFAOYSA-N
MW112.14 g/mol
LogP0.03
Rot. Bonds1

About 3-N-methyl-1H-pyrazole-3,5-diamine

3-N-methyl-1H-pyrazole-3,5-diamine (PubChem CID 83864197) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 3-N-methyl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-1H-pyrazole-3,5-diamine
PubChem CID83864197
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name3-N-methyl-1H-pyrazole-3,5-diamine
SMILESCNc1cc(N)[nH]n1
InChIInChI=1S/C4H8N4/c1-6-4-2-3(5)7-8-4/h2H,1H3,(H4,5,6,7,8)
InChIKeyPYNVVGZLBWIHSP-UHFFFAOYSA-N
XLogP0.03
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1H-pyrazole-3,5-diamine?
The IUPAC name of 3-N-methyl-1H-pyrazole-3,5-diamine (CID 83864197) is 3-N-methyl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 3-N-methyl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 3-N-methyl-1H-pyrazole-3,5-diamine is CNc1cc(N)[nH]n1.
What is the InChIKey of 3-N-methyl-1H-pyrazole-3,5-diamine?
The InChIKey is PYNVVGZLBWIHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-6-4-2-3(5)7-8-4/h2H,1H3,(H4,5,6,7,8).
What are the key properties of 3-N-methyl-1H-pyrazole-3,5-diamine?
3-N-methyl-1H-pyrazole-3,5-diamine has a molecular weight of 112.14 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 83864197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).