butane;1H-pyrazole

C7H14N2 — CID 67123964

IUPACbutane;1H-pyrazole
SMILESCCCC.c1cn[nH]c1
InChIInChI=1S/C4H10.C3H4N2/c1-3-4-2;1-2-4-5-3-1/h3-4H2,1-2H3;1-3H,(H,4,5)
InChIKeyGOEYQDLOYCOZKB-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.22
Rot. Bonds1

About butane;1H-pyrazole

butane;1H-pyrazole (PubChem CID 67123964) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is butane;1H-pyrazole.

Molecular Properties

Compound Namebutane;1H-pyrazole
PubChem CID67123964
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namebutane;1H-pyrazole
SMILESCCCC.c1cn[nH]c1
InChIInChI=1S/C4H10.C3H4N2/c1-3-4-2;1-2-4-5-3-1/h3-4H2,1-2H3;1-3H,(H,4,5)
InChIKeyGOEYQDLOYCOZKB-UHFFFAOYSA-N
XLogP2.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;1H-pyrazole?
The IUPAC name of butane;1H-pyrazole (CID 67123964) is butane;1H-pyrazole.
What is the SMILES notation for butane;1H-pyrazole?
The canonical SMILES for butane;1H-pyrazole is CCCC.c1cn[nH]c1.
What is the InChIKey of butane;1H-pyrazole?
The InChIKey is GOEYQDLOYCOZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H4N2/c1-3-4-2;1-2-4-5-3-1/h3-4H2,1-2H3;1-3H,(H,4,5).
What are the key properties of butane;1H-pyrazole?
butane;1H-pyrazole has a molecular weight of 126.20 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1H-pyrazole is sourced from PubChem (CID 67123964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).