1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole

C10H12F2N4 — CID 166088478

IUPAC1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole
SMILESCC(C)c1ccn(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C10H12F2N4/c1-7(2)9-3-4-15(14-9)8-5-13-16(6-8)10(11)12/h3-7,10H,1-2H3
InChIKeyRLSXIWZPANLAAL-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.59
Rot. Bonds3

About 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole

1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole (PubChem CID 166088478) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole
PubChem CID166088478
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole
SMILESCC(C)c1ccn(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C10H12F2N4/c1-7(2)9-3-4-15(14-9)8-5-13-16(6-8)10(11)12/h3-7,10H,1-2H3
InChIKeyRLSXIWZPANLAAL-UHFFFAOYSA-N
XLogP2.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole (CID 166088478) is 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole is CC(C)c1ccn(-c2cnn(C(F)F)c2)n1.
What is the InChIKey of 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole?
The InChIKey is RLSXIWZPANLAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c1-7(2)9-3-4-15(14-9)8-5-13-16(6-8)10(11)12/h3-7,10H,1-2H3.
What are the key properties of 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole?
1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole has a molecular weight of 226.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole is sourced from PubChem (CID 166088478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).