N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide

C19H19F2N5O2 — CID 118130858

IUPACN-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cc(OC(C)C)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C
InChIInChI=1S/C19H19F2N5O2/c1-10(2)28-17-5-11(3)12(7-23-17)16-6-15(25-26(16)4)19(27)24-18-13(20)8-22-9-14(18)21/h5-10H,1-4H3,(H,22,24,27)
InChIKeyARPHCIAYUACJGS-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.50
Rot. Bonds5

About N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide

N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 118130858) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID118130858
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cc(OC(C)C)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C
InChIInChI=1S/C19H19F2N5O2/c1-10(2)28-17-5-11(3)12(7-23-17)16-6-15(25-26(16)4)19(27)24-18-13(20)8-22-9-14(18)21/h5-10H,1-4H3,(H,22,24,27)
InChIKeyARPHCIAYUACJGS-UHFFFAOYSA-N
XLogP3.50
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.50
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-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide (CID 118130858) is N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide is Cc1cc(OC(C)C)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-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is ARPHCIAYUACJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-10(2)28-17-5-11(3)12(7-23-17)16-6-15(25-26(16)4)19(27)24-18-13(20)8-22-9-14(18)21/h5-10H,1-4H3,(H,22,24,27).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-1-methyl-5-(4-methyl-6-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 3.50, 5 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-propan-2-yloxy-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118130858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).