4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

C17H13ClF2N4O2 — CID 56742548

IUPAC4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)c2[nH]ncc2Cl)c(F)c1F
InChIInChI=1S/C17H13ClF2N4O2/c1-9-4-5-12(14(20)13(9)19)26-17-10(3-2-6-21-17)7-22-16(25)15-11(18)8-23-24-15/h2-6,8H,7H2,1H3,(H,22,25)(H,23,24)
InChIKeyCKKBDYBPQHCKGA-UHFFFAOYSA-N
MW378.77 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 56742548) has the molecular formula C17H13ClF2N4O2 and a molecular weight of 378.77 g/mol. Its IUPAC name is 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID56742548
Molecular FormulaC17H13ClF2N4O2
Molecular Weight378.77 g/mol
Exact Mass378.07
IUPAC Name4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)c2[nH]ncc2Cl)c(F)c1F
InChIInChI=1S/C17H13ClF2N4O2/c1-9-4-5-12(14(20)13(9)19)26-17-10(3-2-6-21-17)7-22-16(25)15-11(18)8-23-24-15/h2-6,8H,7H2,1H3,(H,22,25)(H,23,24)
InChIKeyCKKBDYBPQHCKGA-UHFFFAOYSA-N
XLogP3.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 45223637
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 42196758
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56753833
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42195086
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
CID 25299461
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine
CID 42197705
5-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1H-imidazole-2-carboxamide
CID 56746207
4-chloro-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
CID 56760516
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 116689944
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 89218724
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (CID 56742548) is 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is Cc1ccc(Oc2ncccc2CNC(=O)c2[nH]ncc2Cl)c(F)c1F.
What is the InChIKey of 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CKKBDYBPQHCKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O2/c1-9-4-5-12(14(20)13(9)19)26-17-10(3-2-6-21-17)7-22-16(25)15-11(18)8-23-24-15/h2-6,8H,7H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 378.77 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56742548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).