N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone

C21H21N7O3 — CID 158826133

IUPACN-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(-c2cccnc2)c1.CON(C)C(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H12N4O2.C10H9N3O/c1-14(17-2)11(16)9-6-13-15(8-9)10-4-3-5-12-7-10;1-8(14)9-5-12-13(7-9)10-3-2-4-11-6-10/h3-8H,1-2H3;2-7H,1H3
InChIKeyIWMCEGOUXGHEAO-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.37
Rot. Bonds5

About N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone

N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone (PubChem CID 158826133) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone
PubChem CID158826133
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC NameN-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(-c2cccnc2)c1.CON(C)C(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H12N4O2.C10H9N3O/c1-14(17-2)11(16)9-6-13-15(8-9)10-4-3-5-12-7-10;1-8(14)9-5-12-13(7-9)10-3-2-4-11-6-10/h3-8H,1-2H3;2-7H,1H3
InChIKeyIWMCEGOUXGHEAO-UHFFFAOYSA-N
XLogP2.37
TPSA108.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-dimethylsulfinamoyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 130392037
tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate
CID 67499598
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 154843795
N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 58270531
N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
CID 159365691
N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 53483031
3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
CID 59436177
1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
CID 105127838
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 120945565
[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate
CID 99799842
pyridin-3-ylmethyl 1-phenylpyrazole-4-carboxylate
CID 75485194

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone?
The IUPAC name of N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone (CID 158826133) is N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone?
The canonical SMILES for N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone is CC(=O)c1cnn(-c2cccnc2)c1.CON(C)C(=O)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone?
The InChIKey is IWMCEGOUXGHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2.C10H9N3O/c1-14(17-2)11(16)9-6-13-15(8-9)10-4-3-5-12-7-10;1-8(14)9-5-12-13(7-9)10-3-2-4-11-6-10/h3-8H,1-2H3;2-7H,1H3.
What are the key properties of N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone?
N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone has a molecular weight of 419.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 158826133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).