4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole

C12H13F3N4 — CID 145012562

IUPAC4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole
SMILESCc1cnn(-c2c(C(F)F)c(C3(F)CC3)nn2C)c1
InChIInChI=1S/C12H13F3N4/c1-7-5-16-19(6-7)11-8(10(13)14)9(17-18(11)2)12(15)3-4-12/h5-6,10H,3-4H2,1-2H3
InChIKeyBFORPHFPMBGVSU-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.81
Rot. Bonds3

About 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole

4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole (PubChem CID 145012562) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole.

Molecular Properties

Compound Name4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole
PubChem CID145012562
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole
SMILESCc1cnn(-c2c(C(F)F)c(C3(F)CC3)nn2C)c1
InChIInChI=1S/C12H13F3N4/c1-7-5-16-19(6-7)11-8(10(13)14)9(17-18(11)2)12(15)3-4-12/h5-6,10H,3-4H2,1-2H3
InChIKeyBFORPHFPMBGVSU-UHFFFAOYSA-N
XLogP2.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole?
The IUPAC name of 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole (CID 145012562) is 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole.
What is the SMILES notation for 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole?
The canonical SMILES for 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole is Cc1cnn(-c2c(C(F)F)c(C3(F)CC3)nn2C)c1.
What is the InChIKey of 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole?
The InChIKey is BFORPHFPMBGVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-7-5-16-19(6-7)11-8(10(13)14)9(17-18(11)2)12(15)3-4-12/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole?
4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole has a molecular weight of 270.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-(1-fluorocyclopropyl)-1-methyl-5-(4-methylpyrazol-1-yl)pyrazole is sourced from PubChem (CID 145012562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).