N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H20F3N5O2 — CID 59749702

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnn(-c2ncccc2C(F)(F)F)c1C
InChIInChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyZZZJRULMCGMYRH-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.05
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 59749702) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID59749702
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnn(-c2ncccc2C(F)(F)F)c1C
InChIInChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyZZZJRULMCGMYRH-UHFFFAOYSA-N
XLogP4.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 59749702) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnn(-c2ncccc2C(F)(F)F)c1C.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is ZZZJRULMCGMYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 59749702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).