1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole

C20H27F3N6 — CID 126548285

IUPAC1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1nn(CC(C)c2cn[nH]c2)cc1C(C)Cn1cc(C(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C20H27F3N6/c1-12(2)17-10-29(27-19(17)20(21,22)23)9-14(4)18-11-28(26-15(18)5)8-13(3)16-6-24-25-7-16/h6-7,10-14H,8-9H2,1-5H3,(H,24,25)
InChIKeyRCHXUIUDPJKLJP-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.86
Rot. Bonds7

About 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole

1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 126548285) has the molecular formula C20H27F3N6 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID126548285
Molecular FormulaC20H27F3N6
Molecular Weight408.47 g/mol
Exact Mass408.22
IUPAC Name1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1nn(CC(C)c2cn[nH]c2)cc1C(C)Cn1cc(C(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C20H27F3N6/c1-12(2)17-10-29(27-19(17)20(21,22)23)9-14(4)18-11-28(26-15(18)5)8-13(3)16-6-24-25-7-16/h6-7,10-14H,8-9H2,1-5H3,(H,24,25)
InChIKeyRCHXUIUDPJKLJP-UHFFFAOYSA-N
XLogP4.86
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 126548285) is 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole is Cc1nn(CC(C)c2cn[nH]c2)cc1C(C)Cn1cc(C(C)C)c(C(F)(F)F)n1.
What is the InChIKey of 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is RCHXUIUDPJKLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N6/c1-12(2)17-10-29(27-19(17)20(21,22)23)9-14(4)18-11-28(26-15(18)5)8-13(3)16-6-24-25-7-16/h6-7,10-14H,8-9H2,1-5H3,(H,24,25).
What are the key properties of 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 408.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methyl-1-[2-(1H-pyrazol-4-yl)propyl]pyrazol-4-yl]propyl]-4-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 126548285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).