3-amino-1H-pyrazole-5-carbonitrile

C4H4N4 — CID 21180574

IUPAC3-amino-1H-pyrazole-5-carbonitrile
SMILESN#Cc1cc(N)n[nH]1
InChIInChI=1S/C4H4N4/c5-2-3-1-4(6)8-7-3/h1H,(H3,6,7,8)
InChIKeyCLPXHJRACWYTNN-UHFFFAOYSA-N
MW108.10 g/mol
LogP-0.14
Rot. Bonds

About 3-amino-1H-pyrazole-5-carbonitrile

3-amino-1H-pyrazole-5-carbonitrile (PubChem CID 21180574) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is 3-amino-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-amino-1H-pyrazole-5-carbonitrile
PubChem CID21180574
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC Name3-amino-1H-pyrazole-5-carbonitrile
SMILESN#Cc1cc(N)n[nH]1
InChIInChI=1S/C4H4N4/c5-2-3-1-4(6)8-7-3/h1H,(H3,6,7,8)
InChIKeyCLPXHJRACWYTNN-UHFFFAOYSA-N
XLogP-0.14
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyrazole-5-carbonitrile?
The IUPAC name of 3-amino-1H-pyrazole-5-carbonitrile (CID 21180574) is 3-amino-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 3-amino-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 3-amino-1H-pyrazole-5-carbonitrile is N#Cc1cc(N)n[nH]1.
What is the InChIKey of 3-amino-1H-pyrazole-5-carbonitrile?
The InChIKey is CLPXHJRACWYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4/c5-2-3-1-4(6)8-7-3/h1H,(H3,6,7,8).
What are the key properties of 3-amino-1H-pyrazole-5-carbonitrile?
3-amino-1H-pyrazole-5-carbonitrile has a molecular weight of 108.10 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 21180574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).