N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C20H16Cl2F3N5O2 — CID 10277846

IUPACN-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C20H16Cl2F3N5O2/c1-10(2)27-18(31)11-5-3-6-12(21)16(11)28-19(32)14-9-15(20(23,24)25)29-30(14)17-13(22)7-4-8-26-17/h3-10H,1-2H3,(H,27,31)(H,28,32)
InChIKeyPZRKZXKZLKHADY-UHFFFAOYSA-N
MW486.28 g/mol
LogP4.98
Rot. Bonds5

About N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 10277846) has the molecular formula C20H16Cl2F3N5O2 and a molecular weight of 486.28 g/mol. Its IUPAC name is N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID10277846
Molecular FormulaC20H16Cl2F3N5O2
Molecular Weight486.28 g/mol
Exact Mass485.06
IUPAC NameN-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C20H16Cl2F3N5O2/c1-10(2)27-18(31)11-5-3-6-12(21)16(11)28-19(32)14-9-15(20(23,24)25)29-30(14)17-13(22)7-4-8-26-17/h3-10H,1-2H3,(H,27,31)(H,28,32)
InChIKeyPZRKZXKZLKHADY-UHFFFAOYSA-N
XLogP4.98
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.28
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 10277846) is N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is PZRKZXKZLKHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F3N5O2/c1-10(2)27-18(31)11-5-3-6-12(21)16(11)28-19(32)14-9-15(20(23,24)25)29-30(14)17-13(22)7-4-8-26-17/h3-10H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 486.28 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 10277846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).