N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide

C12H14N4O2 — CID 34879653

IUPACN-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide
SMILESCCOc1ncccc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C12H14N4O2/c1-3-18-12-10(5-4-6-13-12)15-11(17)9-7-14-16(2)8-9/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyAPRYELQAXILXED-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.47
Rot. Bonds4

About N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide

N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide (PubChem CID 34879653) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide
PubChem CID34879653
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide
SMILESCCOc1ncccc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C12H14N4O2/c1-3-18-12-10(5-4-6-13-12)15-11(17)9-7-14-16(2)8-9/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyAPRYELQAXILXED-UHFFFAOYSA-N
XLogP1.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883831
(16R)-9-fluoro-16-methyl-13-oxa-2,6,11,17,21,22,25-heptazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one
CID 142589459
N-(2-(2-methoxyethoxy)-5-(trifluoromethyl)pyridin-3-yl)-1-(1-oxo-1,2-dihydroisoquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 156601140
N-(2,4-difluorophenyl)-1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxamide
CID 76312397
1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 39502363
1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 39502631
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 45817456
1-[(2-Ethoxy-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828053
3-methoxy-1-methyl-N-(2-oxo-2-(pyridin-3-ylamino)ethyl)-1H-pyrazole-4-carboxamide
CID 49671006
N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51103867
N-[(2-Ethoxypyridin-3-YL)methyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 53184910
1-(3,5-Dimethyl-1-propan-2-ylpyrazol-4-yl)-3-(2-ethoxy-3-pyridinyl)urea
CID 53513710

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide (CID 34879653) is N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide is CCOc1ncccc1NC(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is APRYELQAXILXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-12-10(5-4-6-13-12)15-11(17)9-7-14-16(2)8-9/h4-8H,3H2,1-2H3,(H,15,17).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 34879653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).