1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide

C18H19F2N5O2 — CID 19280086

IUPAC1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C18H19F2N5O2/c1-3-25-16(6-8-21-25)12(2)22-18(26)15-7-9-24(23-15)11-27-17-5-4-13(19)10-14(17)20/h4-10,12H,3,11H2,1-2H3,(H,22,26)
InChIKeyMJTKUKOQHYGMJC-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.91
Rot. Bonds7

About 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide

1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 19280086) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
PubChem CID19280086
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C18H19F2N5O2/c1-3-25-16(6-8-21-25)12(2)22-18(26)15-7-9-24(23-15)11-27-17-5-4-13(19)10-14(17)20/h4-10,12H,3,11H2,1-2H3,(H,22,26)
InChIKeyMJTKUKOQHYGMJC-UHFFFAOYSA-N
XLogP2.91
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19274585
N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 39891451
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19268854
1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19279969
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
4-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484044
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280097
1-[(2,4-difluorophenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]pyrazole-3-carboxamide
CID 110279504
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279923
N-[2-(diethylamino)ethyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280115
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280074
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19279011

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide (CID 19280086) is 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide is CCn1nccc1C(C)NC(=O)c1ccn(COc2ccc(F)cc2F)n1.
What is the InChIKey of 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is MJTKUKOQHYGMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-3-25-16(6-8-21-25)12(2)22-18(26)15-7-9-24(23-15)11-27-17-5-4-13(19)10-14(17)20/h4-10,12H,3,11H2,1-2H3,(H,22,26).
What are the key properties of 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide?
1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19280086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).