5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide

C21H25N5O3 — CID 31954971

IUPAC5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2cc(C)ccc2OC)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C21H25N5O3/c1-6-17-16(12-22-26(17)19-9-10-20(29-5)24-23-19)21(27)25(3)13-15-11-14(2)7-8-18(15)28-4/h7-12H,6,13H2,1-5H3
InChIKeyPXMRLQIGPBGTLZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.82
Rot. Bonds7

About 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide

5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide (PubChem CID 31954971) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide
PubChem CID31954971
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2cc(C)ccc2OC)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C21H25N5O3/c1-6-17-16(12-22-26(17)19-9-10-20(29-5)24-23-19)21(27)25(3)13-15-11-14(2)7-8-18(15)28-4/h7-12H,6,13H2,1-5H3
InChIKeyPXMRLQIGPBGTLZ-UHFFFAOYSA-N
XLogP2.82
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31908758
methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
CID 31855775
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
CID 31886760
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31991225
N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46482900
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 18118556
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 39316484
5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46589301
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 47056329
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 31860015
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 41358025

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide (CID 31954971) is 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide is CCc1c(C(=O)N(C)Cc2cc(C)ccc2OC)cnn1-c1ccc(OC)nn1.
What is the InChIKey of 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide?
The InChIKey is PXMRLQIGPBGTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-6-17-16(12-22-26(17)19-9-10-20(29-5)24-23-19)21(27)25(3)13-15-11-14(2)7-8-18(15)28-4/h7-12H,6,13H2,1-5H3.
What are the key properties of 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide?
5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 31954971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).