4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole

C14H22N4 — CID 130346443

IUPAC4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole
SMILESCc1cnn(C(C)CCC(C)n2cnc(C)c2)c1
InChIInChI=1S/C14H22N4/c1-11-7-16-18(8-11)14(4)6-5-13(3)17-9-12(2)15-10-17/h7-10,13-14H,5-6H2,1-4H3
InChIKeyMTSPFFVNTMUUPS-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.30
Rot. Bonds5

About 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole

4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole (PubChem CID 130346443) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole
PubChem CID130346443
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole
SMILESCc1cnn(C(C)CCC(C)n2cnc(C)c2)c1
InChIInChI=1S/C14H22N4/c1-11-7-16-18(8-11)14(4)6-5-13(3)17-9-12(2)15-10-17/h7-10,13-14H,5-6H2,1-4H3
InChIKeyMTSPFFVNTMUUPS-UHFFFAOYSA-N
XLogP3.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole?
The IUPAC name of 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole (CID 130346443) is 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole.
What is the SMILES notation for 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole?
The canonical SMILES for 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole is Cc1cnn(C(C)CCC(C)n2cnc(C)c2)c1.
What is the InChIKey of 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole?
The InChIKey is MTSPFFVNTMUUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-7-16-18(8-11)14(4)6-5-13(3)17-9-12(2)15-10-17/h7-10,13-14H,5-6H2,1-4H3.
What are the key properties of 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole?
4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole has a molecular weight of 246.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(4-methylimidazol-1-yl)hexan-2-yl]pyrazole is sourced from PubChem (CID 130346443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).