N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide

C20H18F3N5O3 — CID 91345645

IUPACN-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nn2nccc2C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H18F3N5O3/c1-12-3-2-4-15(26-12)18(30)27-28-16(9-10-25-28)19(31)24-11-17(29)13-5-7-14(8-6-13)20(21,22)23/h2-10,17,29H,11H2,1H3,(H,24,31)(H,27,30)
InChIKeyCUDWQCOJRMCRBX-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.45
Rot. Bonds6

About N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide

N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 91345645) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID91345645
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC NameN-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nn2nccc2C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H18F3N5O3/c1-12-3-2-4-15(26-12)18(30)27-28-16(9-10-25-28)19(31)24-11-17(29)13-5-7-14(8-6-13)20(21,22)23/h2-10,17,29H,11H2,1H3,(H,24,31)(H,27,30)
InChIKeyCUDWQCOJRMCRBX-UHFFFAOYSA-N
XLogP2.45
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide (CID 91345645) is N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nn2nccc2C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is CUDWQCOJRMCRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-12-3-2-4-15(26-12)18(30)27-28-16(9-10-25-28)19(31)24-11-17(29)13-5-7-14(8-6-13)20(21,22)23/h2-10,17,29H,11H2,1H3,(H,24,31)(H,27,30).
What are the key properties of N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide?
N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 91345645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).