1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole

C12H14N8 — CID 141297404

IUPAC1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole
SMILESC1=CNN(N2CC(c3ccn[nH]3)N=C2c2ncc[nH]2)C1
InChIInChI=1S/C12H14N8/c1-3-16-20(7-1)19-8-10(9-2-4-15-18-9)17-12(19)11-13-5-6-14-11/h1-6,10,16H,7-8H2,(H,13,14)(H,15,18)
InChIKeyOHLAHSFJTVLVOJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.19
Rot. Bonds3

About 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole

1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole (PubChem CID 141297404) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole
PubChem CID141297404
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole
SMILESC1=CNN(N2CC(c3ccn[nH]3)N=C2c2ncc[nH]2)C1
InChIInChI=1S/C12H14N8/c1-3-16-20(7-1)19-8-10(9-2-4-15-18-9)17-12(19)11-13-5-6-14-11/h1-6,10,16H,7-8H2,(H,13,14)(H,15,18)
InChIKeyOHLAHSFJTVLVOJ-UHFFFAOYSA-N
XLogP0.19
TPSA88.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Imidazolylpyrazole
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1-Butyl-2-[(1-methylimidazol-2-yl)methyl]-3-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine
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N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole (CID 141297404) is 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole is C1=CNN(N2CC(c3ccn[nH]3)N=C2c2ncc[nH]2)C1.
What is the InChIKey of 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole?
The InChIKey is OHLAHSFJTVLVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-3-16-20(7-1)19-8-10(9-2-4-15-18-9)17-12(19)11-13-5-6-14-11/h1-6,10,16H,7-8H2,(H,13,14)(H,15,18).
What are the key properties of 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole?
1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole has a molecular weight of 270.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 141297404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).