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

C18H16F2N4O2 — CID 56741481

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C18H16F2N4O2/c1-2-12-8-16(24-23-12)17(25)22-10-11-4-3-7-21-18(11)26-13-5-6-14(19)15(20)9-13/h3-9H,2,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyGDWDXAAUUWJCGU-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.37
Rot. Bonds6

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

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 56741481) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID56741481
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C18H16F2N4O2/c1-2-12-8-16(24-23-12)17(25)22-10-11-4-3-7-21-18(11)26-13-5-6-14(19)15(20)9-13/h3-9H,2,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyGDWDXAAUUWJCGU-UHFFFAOYSA-N
XLogP3.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10022354, Example 7
CID 121279570
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46865791
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide
CID 71544012
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 89463230
US10022354, Example 52
CID 121279730
3-(Trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 89463692
N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide
CID 154654432

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 56741481) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)n[nH]1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is GDWDXAAUUWJCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-2-12-8-16(24-23-12)17(25)22-10-11-4-3-7-21-18(11)26-13-5-6-14(19)15(20)9-13/h3-9H,2,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56741481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).