4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole

C17H24N6 — CID 56863124

IUPAC4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCCCCc1ncc(-c2nccn2CCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C17H24N6/c1-4-5-6-16-19-11-15(20-16)17-18-8-10-23(17)9-7-14-12(2)21-22-13(14)3/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyQSFINPVYZZLSGW-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.20
Rot. Bonds7

About 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole

4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 56863124) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
PubChem CID56863124
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCCCCc1ncc(-c2nccn2CCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C17H24N6/c1-4-5-6-16-19-11-15(20-16)17-18-8-10-23(17)9-7-14-12(2)21-22-13(14)3/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyQSFINPVYZZLSGW-UHFFFAOYSA-N
XLogP3.20
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole (CID 56863124) is 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole is CCCCc1ncc(-c2nccn2CCc2c(C)n[nH]c2C)[nH]1.
What is the InChIKey of 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is QSFINPVYZZLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-4-5-6-16-19-11-15(20-16)17-18-8-10-23(17)9-7-14-12(2)21-22-13(14)3/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 312.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 56863124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).