N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C19H20N4O2 — CID 46883829

IUPACN-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(OC)nc1
InChIInChI=1S/C19H20N4O2/c1-4-23(15-9-10-18(25-3)20-12-15)19(24)17-11-16(21-22-17)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyBQCOSURMPNVNKW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.46
Rot. Bonds5

About N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46883829) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46883829
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(OC)nc1
InChIInChI=1S/C19H20N4O2/c1-4-23(15-9-10-18(25-3)20-12-15)19(24)17-11-16(21-22-17)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyBQCOSURMPNVNKW-UHFFFAOYSA-N
XLogP3.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 46883829) is N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is CCN(C(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(OC)nc1.
What is the InChIKey of N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BQCOSURMPNVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-23(15-9-10-18(25-3)20-12-15)19(24)17-11-16(21-22-17)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46883829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).