5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide

C19H18F2N4O2 — CID 56750778

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccnc1C(C)NC(=O)c1cc(COc2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C19H18F2N4O2/c1-11-4-3-7-22-18(11)12(2)23-19(26)16-9-14(24-25-16)10-27-17-6-5-13(20)8-15(17)21/h3-9,12H,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyATTOVMKFFFRKSO-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.46
Rot. Bonds6

About 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 56750778) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID56750778
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccnc1C(C)NC(=O)c1cc(COc2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C19H18F2N4O2/c1-11-4-3-7-22-18(11)12(2)23-19(26)16-9-14(24-25-16)10-27-17-6-5-13(20)8-15(17)21/h3-9,12H,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyATTOVMKFFFRKSO-UHFFFAOYSA-N
XLogP3.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42519546
5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 56759685
5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95223634
5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95219629
5-[(3-fluorophenoxy)methyl]-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56751025
5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 56872415
5-[(2-fluorophenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56755768
methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
CID 42290209
2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
CID 72922137
N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56744159
N-(2-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749610
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide (CID 56750778) is 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide is Cc1cccnc1C(C)NC(=O)c1cc(COc2ccc(F)cc2F)[nH]n1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ATTOVMKFFFRKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-11-4-3-7-22-18(11)12(2)23-19(26)16-9-14(24-25-16)10-27-17-6-5-13(20)8-15(17)21/h3-9,12H,10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56750778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).