N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

C21H26N6O2 — CID 31908758

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(CN(C)C)cc2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C21H26N6O2/c1-5-18-17(13-23-27(18)19-10-11-20(29-4)25-24-19)21(28)22-12-15-6-8-16(9-7-15)14-26(2)3/h6-11,13H,5,12,14H2,1-4H3,(H,22,28)
InChIKeyBRWKCZZYVYKJBU-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.22
Rot. Bonds8

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 31908758) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID31908758
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(CN(C)C)cc2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C21H26N6O2/c1-5-18-17(13-23-27(18)19-10-11-20(29-4)25-24-19)21(28)22-12-15-6-8-16(9-7-15)14-26(2)3/h6-11,13H,5,12,14H2,1-4H3,(H,22,28)
InChIKeyBRWKCZZYVYKJBU-UHFFFAOYSA-N
XLogP2.22
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
CID 31855775
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 47056329
N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46482900
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
CID 31886760
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55858499
5-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)-N-methylpyrazole-4-carboxamide
CID 31954971
N-[[4-(ethoxymethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37357760
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39043684
5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46589301
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31956930
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 39316484
N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (CID 31908758) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccc(CN(C)C)cc2)cnn1-c1ccc(OC)nn1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is BRWKCZZYVYKJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-5-18-17(13-23-27(18)19-10-11-20(29-4)25-24-19)21(28)22-12-15-6-8-16(9-7-15)14-26(2)3/h6-11,13H,5,12,14H2,1-4H3,(H,22,28).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 31908758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).