1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole

C26H34N6 — CID 122402285

IUPAC1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccc(C3(c4ccc(Cn5nc(C)cc5C)[nH]4)CCCCC3)[nH]2)n1
InChIInChI=1S/C26H34N6/c1-18-14-20(3)31(29-18)16-22-8-10-24(27-22)26(12-6-5-7-13-26)25-11-9-23(28-25)17-32-21(4)15-19(2)30-32/h8-11,14-15,27-28H,5-7,12-13,16-17H2,1-4H3
InChIKeyVONOMYRSEGQLAP-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.32
Rot. Bonds6

About 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole

1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole (PubChem CID 122402285) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
PubChem CID122402285
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC Name1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccc(C3(c4ccc(Cn5nc(C)cc5C)[nH]4)CCCCC3)[nH]2)n1
InChIInChI=1S/C26H34N6/c1-18-14-20(3)31(29-18)16-22-8-10-24(27-22)26(12-6-5-7-13-26)25-11-9-23(28-25)17-32-21(4)15-19(2)30-32/h8-11,14-15,27-28H,5-7,12-13,16-17H2,1-4H3
InChIKeyVONOMYRSEGQLAP-UHFFFAOYSA-N
XLogP5.32
TPSA67.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole (CID 122402285) is 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2ccc(C3(c4ccc(Cn5nc(C)cc5C)[nH]4)CCCCC3)[nH]2)n1.
What is the InChIKey of 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The InChIKey is VONOMYRSEGQLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6/c1-18-14-20(3)31(29-18)16-22-8-10-24(27-22)26(12-6-5-7-13-26)25-11-9-23(28-25)17-32-21(4)15-19(2)30-32/h8-11,14-15,27-28H,5-7,12-13,16-17H2,1-4H3.
What are the key properties of 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole has a molecular weight of 430.60 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 122402285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).