N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C20H22N4O3 — CID 46883831

IUPACN-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1
InChIInChI=1S/C20H22N4O3/c1-15-18(14-22-24(15)16-7-5-4-6-8-16)20(25)23(11-12-26-2)17-9-10-19(27-3)21-13-17/h4-10,13-14H,11-12H2,1-3H3
InChIKeyPWDJIHNBTXFIDJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.88
Rot. Bonds7

About N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 46883831) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID46883831
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1
InChIInChI=1S/C20H22N4O3/c1-15-18(14-22-24(15)16-7-5-4-6-8-16)20(25)23(11-12-26-2)17-9-10-19(27-3)21-13-17/h4-10,13-14H,11-12H2,1-3H3
InChIKeyPWDJIHNBTXFIDJ-UHFFFAOYSA-N
XLogP2.88
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 46883831) is N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide is COCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1.
What is the InChIKey of N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is PWDJIHNBTXFIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-15-18(14-22-24(15)16-7-5-4-6-8-16)20(25)23(11-12-26-2)17-9-10-19(27-3)21-13-17/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46883831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).