[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone

C10H8ClF3N4O — CID 4770764

IUPAC[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1
InChIInChI=1S/C10H8ClF3N4O/c1-5-3-15-18(4-5)9(19)7-6(11)8(10(12,13)14)16-17(7)2/h3-4H,1-2H3
InChIKeyAQOUPAXTELHKFM-UHFFFAOYSA-N
MW292.65 g/mol
LogP2.29
Rot. Bonds1

About [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone

[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone (PubChem CID 4770764) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone
PubChem CID4770764
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1
InChIInChI=1S/C10H8ClF3N4O/c1-5-3-15-18(4-5)9(19)7-6(11)8(10(12,13)14)16-17(7)2/h3-4H,1-2H3
InChIKeyAQOUPAXTELHKFM-UHFFFAOYSA-N
XLogP2.29
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone (CID 4770764) is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1.
What is the InChIKey of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone?
The InChIKey is AQOUPAXTELHKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-5-3-15-18(4-5)9(19)7-6(11)8(10(12,13)14)16-17(7)2/h3-4H,1-2H3.
What are the key properties of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone?
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone has a molecular weight of 292.65 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 4770764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).