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

C16H13F2N5O2 — CID 42519546

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccncn1)c1cc(COc2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C16H13F2N5O2/c17-10-1-2-15(13(18)5-10)25-8-12-6-14(23-22-12)16(24)20-7-11-3-4-19-9-21-11/h1-6,9H,7-8H2,(H,20,24)(H,22,23)
InChIKeyMKMRKMMOINGFPF-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.99
Rot. Bonds6

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

5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 42519546) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID42519546
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccncn1)c1cc(COc2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C16H13F2N5O2/c17-10-1-2-15(13(18)5-10)25-8-12-6-14(23-22-12)16(24)20-7-11-3-4-19-9-21-11/h1-6,9H,7-8H2,(H,20,24)(H,22,23)
InChIKeyMKMRKMMOINGFPF-UHFFFAOYSA-N
XLogP1.99
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56744159
5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95223634
5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750778
5-[(2-fluorophenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56755768
2-amino-5-fluoro-N-(pyrimidin-4-ylmethyl)benzamide
CID 114110306
methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
CID 42290209
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 77082981
5-[(2-fluorophenoxy)methyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 56759685
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42148026
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-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide (CID 42519546) is 5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide is O=C(NCc1ccncn1)c1cc(COc2ccc(F)cc2F)[nH]n1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MKMRKMMOINGFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c17-10-1-2-15(13(18)5-10)25-8-12-6-14(23-22-12)16(24)20-7-11-3-4-19-9-21-11/h1-6,9H,7-8H2,(H,20,24)(H,22,23).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42519546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).