1H-pyrazole

C3H4N2 — CID 1048

IUPAC1H-pyrazole
SMILESc1cn[nH]c1
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-N
MW68.08 g/mol
LogP0.41
Rot. Bonds

About 1H-pyrazole

1H-pyrazole (PubChem CID 1048) has the molecular formula C3H4N2 and a molecular weight of 68.08 g/mol. Its IUPAC name is 1H-pyrazole.

Molecular Properties

Compound Name1H-pyrazole
PubChem CID1048
Molecular FormulaC3H4N2
Molecular Weight68.08 g/mol
Exact Mass68.04
IUPAC Name1H-pyrazole
SMILESc1cn[nH]c1
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-N
XLogP0.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.08
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole?
The IUPAC name of 1H-pyrazole (CID 1048) is 1H-pyrazole.
What is the SMILES notation for 1H-pyrazole?
The canonical SMILES for 1H-pyrazole is c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole?
The InChIKey is WTKZEGDFNFYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5).
What are the key properties of 1H-pyrazole?
1H-pyrazole has a molecular weight of 68.08 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole is sourced from PubChem (CID 1048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).