4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole

C10H9N5 — CID 136657105

IUPAC4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole
SMILESc1c[nH]c(-c2[nH]ncc2-c2ncc[nH]2)c1
InChIInChI=1S/C10H9N5/c1-2-8(11-3-1)9-7(6-14-15-9)10-12-4-5-13-10/h1-6,11H,(H,12,13)(H,14,15)
InChIKeyHGDIPSDQFOFCGF-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.79
Rot. Bonds2

About 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole

4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole (PubChem CID 136657105) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole
PubChem CID136657105
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole
SMILESc1c[nH]c(-c2[nH]ncc2-c2ncc[nH]2)c1
InChIInChI=1S/C10H9N5/c1-2-8(11-3-1)9-7(6-14-15-9)10-12-4-5-13-10/h1-6,11H,(H,12,13)(H,14,15)
InChIKeyHGDIPSDQFOFCGF-UHFFFAOYSA-N
XLogP1.79
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole (CID 136657105) is 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole is c1c[nH]c(-c2[nH]ncc2-c2ncc[nH]2)c1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole?
The InChIKey is HGDIPSDQFOFCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-2-8(11-3-1)9-7(6-14-15-9)10-12-4-5-13-10/h1-6,11H,(H,12,13)(H,14,15).
What are the key properties of 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole?
4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole has a molecular weight of 199.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1H-pyrazole is sourced from PubChem (CID 136657105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).