3-amino-1-methylpyrazole-4-carbonitrile

C5H6N4 — CID 10654213

IUPAC3-amino-1-methylpyrazole-4-carbonitrile
SMILESCn1cc(C#N)c(N)n1
InChIInChI=1S/C5H6N4/c1-9-3-4(2-6)5(7)8-9/h3H,1H3,(H2,7,8)
InChIKeyFBQOIRKIQMQJNS-UHFFFAOYSA-N
MW122.13 g/mol
LogP-0.13
Rot. Bonds

About 3-amino-1-methylpyrazole-4-carbonitrile

3-amino-1-methylpyrazole-4-carbonitrile (PubChem CID 10654213) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 3-amino-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-methylpyrazole-4-carbonitrile
PubChem CID10654213
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name3-amino-1-methylpyrazole-4-carbonitrile
SMILESCn1cc(C#N)c(N)n1
InChIInChI=1S/C5H6N4/c1-9-3-4(2-6)5(7)8-9/h3H,1H3,(H2,7,8)
InChIKeyFBQOIRKIQMQJNS-UHFFFAOYSA-N
XLogP-0.13
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-methylpyrazole-4-carbonitrile (CID 10654213) is 3-amino-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-methylpyrazole-4-carbonitrile is Cn1cc(C#N)c(N)n1.
What is the InChIKey of 3-amino-1-methylpyrazole-4-carbonitrile?
The InChIKey is FBQOIRKIQMQJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c1-9-3-4(2-6)5(7)8-9/h3H,1H3,(H2,7,8).
What are the key properties of 3-amino-1-methylpyrazole-4-carbonitrile?
3-amino-1-methylpyrazole-4-carbonitrile has a molecular weight of 122.13 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 10654213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).