2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide

C14H18N4O2 — CID 90554945

IUPAC2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-3-20-10-14(19)16-9-12-8-13(18(2)17-12)11-4-6-15-7-5-11/h4-8H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyOSGAHJTWTRMZNS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds6

About 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide

2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide (PubChem CID 90554945) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
PubChem CID90554945
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-3-20-10-14(19)16-9-12-8-13(18(2)17-12)11-4-6-15-7-5-11/h4-8H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyOSGAHJTWTRMZNS-UHFFFAOYSA-N
XLogP1.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568661
(E)-N-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568746
[2-(2-methylanilino)-2-oxoethyl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
CID 2476823
N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide;hydrochloride
CID 16196231
N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 162655328
N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309715
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 46887107
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydroisoxazole-5-carboxamide
CID 3245512
N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307455
(1S,11S)-14-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202041
N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide (CID 90554945) is 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide is CCOCC(=O)NCc1cc(-c2ccncc2)n(C)n1.
What is the InChIKey of 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The InChIKey is OSGAHJTWTRMZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-10-14(19)16-9-12-8-13(18(2)17-12)11-4-6-15-7-5-11/h4-8H,3,9-10H2,1-2H3,(H,16,19).
What are the key properties of 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 90554945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).