N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H10ClF3N6O2 — CID 4768135

IUPACN-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1C(N)=O
InChIInChI=1S/C11H10ClF3N6O2/c1-20-6(9(16)22)4(3-17-20)18-10(23)7-5(12)8(11(13,14)15)19-21(7)2/h3H,1-2H3,(H2,16,22)(H,18,23)
InChIKeyIVDHUTTWAVAKOT-UHFFFAOYSA-N
MW350.69 g/mol
LogP1.18
Rot. Bonds3

About N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4768135) has the molecular formula C11H10ClF3N6O2 and a molecular weight of 350.69 g/mol. Its IUPAC name is N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4768135
Molecular FormulaC11H10ClF3N6O2
Molecular Weight350.69 g/mol
Exact Mass350.05
IUPAC NameN-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1C(N)=O
InChIInChI=1S/C11H10ClF3N6O2/c1-20-6(9(16)22)4(3-17-20)18-10(23)7-5(12)8(11(13,14)15)19-21(7)2/h3H,1-2H3,(H2,16,22)(H,18,23)
InChIKeyIVDHUTTWAVAKOT-UHFFFAOYSA-N
XLogP1.18
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4768135) is N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1ncc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c1C(N)=O.
What is the InChIKey of N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IVDHUTTWAVAKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N6O2/c1-20-6(9(16)22)4(3-17-20)18-10(23)7-5(12)8(11(13,14)15)19-21(7)2/h3H,1-2H3,(H2,16,22)(H,18,23).
What are the key properties of N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 350.69 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-1-methylpyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4768135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).