3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole

C10H11ClF2N4 — CID 175719099

IUPAC3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole
SMILESCn1cc(Cc2cn(CC(F)F)nc2Cl)cn1
InChIInChI=1S/C10H11ClF2N4/c1-16-4-7(3-14-16)2-8-5-17(6-9(12)13)15-10(8)11/h3-5,9H,2,6H2,1H3
InChIKeyBUSKBYMBPIYSME-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.13
Rot. Bonds4

About 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole

3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole (PubChem CID 175719099) has the molecular formula C10H11ClF2N4 and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole
PubChem CID175719099
Molecular FormulaC10H11ClF2N4
Molecular Weight260.68 g/mol
Exact Mass260.06
IUPAC Name3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole
SMILESCn1cc(Cc2cn(CC(F)F)nc2Cl)cn1
InChIInChI=1S/C10H11ClF2N4/c1-16-4-7(3-14-16)2-8-5-17(6-9(12)13)15-10(8)11/h3-5,9H,2,6H2,1H3
InChIKeyBUSKBYMBPIYSME-UHFFFAOYSA-N
XLogP2.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The IUPAC name of 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole (CID 175719099) is 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The canonical SMILES for 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole is Cn1cc(Cc2cn(CC(F)F)nc2Cl)cn1.
What is the InChIKey of 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The InChIKey is BUSKBYMBPIYSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N4/c1-16-4-7(3-14-16)2-8-5-17(6-9(12)13)15-10(8)11/h3-5,9H,2,6H2,1H3.
What are the key properties of 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole?
3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole has a molecular weight of 260.68 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,2-difluoroethyl)-4-[(1-methylpyrazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 175719099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).