1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole

C20H30N6 — CID 134490979

IUPAC1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole
SMILESCC(C)c1ccn(CCC(C)c2ccn(CC(C)c3nccn3C)n2)n1
InChIInChI=1S/C20H30N6/c1-15(2)18-7-11-25(22-18)10-6-16(3)19-8-12-26(23-19)14-17(4)20-21-9-13-24(20)5/h7-9,11-13,15-17H,6,10,14H2,1-5H3
InChIKeyMIYIWQABMRTURG-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.93
Rot. Bonds8

About 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole

1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole (PubChem CID 134490979) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole
PubChem CID134490979
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole
SMILESCC(C)c1ccn(CCC(C)c2ccn(CC(C)c3nccn3C)n2)n1
InChIInChI=1S/C20H30N6/c1-15(2)18-7-11-25(22-18)10-6-16(3)19-8-12-26(23-19)14-17(4)20-21-9-13-24(20)5/h7-9,11-13,15-17H,6,10,14H2,1-5H3
InChIKeyMIYIWQABMRTURG-UHFFFAOYSA-N
XLogP3.93
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole?
The IUPAC name of 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole (CID 134490979) is 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole.
What is the SMILES notation for 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole?
The canonical SMILES for 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole is CC(C)c1ccn(CCC(C)c2ccn(CC(C)c3nccn3C)n2)n1.
What is the InChIKey of 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole?
The InChIKey is MIYIWQABMRTURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-15(2)18-7-11-25(22-18)10-6-16(3)19-8-12-26(23-19)14-17(4)20-21-9-13-24(20)5/h7-9,11-13,15-17H,6,10,14H2,1-5H3.
What are the key properties of 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole?
1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole has a molecular weight of 354.50 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[3-[4-(3-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrazol-1-yl]propan-2-yl]imidazole is sourced from PubChem (CID 134490979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).