N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide

C23H19F2N5O2 — CID 118148844

IUPACN-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cc(OCc2ccccc2)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C
InChIInChI=1S/C23H19F2N5O2/c1-14-8-21(32-13-15-6-4-3-5-7-15)27-10-16(14)20-9-19(29-30(20)2)23(31)28-22-17(24)11-26-12-18(22)25/h3-12H,13H2,1-2H3,(H,26,28,31)
InChIKeyIDVLPRQNIMTWHG-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.30
Rot. Bonds6

About N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide

N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 118148844) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID118148844
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cc(OCc2ccccc2)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C
InChIInChI=1S/C23H19F2N5O2/c1-14-8-21(32-13-15-6-4-3-5-7-15)27-10-16(14)20-9-19(29-30(20)2)23(31)28-22-17(24)11-26-12-18(22)25/h3-12H,13H2,1-2H3,(H,26,28,31)
InChIKeyIDVLPRQNIMTWHG-UHFFFAOYSA-N
XLogP4.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide (CID 118148844) is N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide is Cc1cc(OCc2ccccc2)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is IDVLPRQNIMTWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-14-8-21(32-13-15-6-4-3-5-7-15)27-10-16(14)20-9-19(29-30(20)2)23(31)28-22-17(24)11-26-12-18(22)25/h3-12H,13H2,1-2H3,(H,26,28,31).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-phenylmethoxy-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118148844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).