1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride

C15H23ClN6O2 — CID 120828707

IUPAC1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
SMILESCCOc1ccc(-n2ncc(C(=O)NCC(C)NC)c2C)nn1.Cl
InChIInChI=1S/C15H22N6O2.ClH/c1-5-23-14-7-6-13(19-20-14)21-11(3)12(9-18-21)15(22)17-8-10(2)16-4;/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,22);1H
InChIKeyQDBZFSMWUSCIJH-UHFFFAOYSA-N
MW354.84 g/mol
LogP1.13
Rot. Bonds7

About 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride

1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 120828707) has the molecular formula C15H23ClN6O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID120828707
Molecular FormulaC15H23ClN6O2
Molecular Weight354.84 g/mol
Exact Mass354.16
IUPAC Name1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
SMILESCCOc1ccc(-n2ncc(C(=O)NCC(C)NC)c2C)nn1.Cl
InChIInChI=1S/C15H22N6O2.ClH/c1-5-23-14-7-6-13(19-20-14)21-11(3)12(9-18-21)15(22)17-8-10(2)16-4;/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,22);1H
InChIKeyQDBZFSMWUSCIJH-UHFFFAOYSA-N
XLogP1.13
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 166227456
1-(4-bromophenyl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120830367
1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide
CID 120887927
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 37216345
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
CID 42895441
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide
CID 31358493
N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 120831966
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-1-(6-ethoxypyridazin-3-yl)-N-ethyl-5-methylpyrazole-4-carboxamide
CID 34354736
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994896
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxamide
CID 31308705

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride (CID 120828707) is 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride is CCOc1ccc(-n2ncc(C(=O)NCC(C)NC)c2C)nn1.Cl.
What is the InChIKey of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is QDBZFSMWUSCIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2.ClH/c1-5-23-14-7-6-13(19-20-14)21-11(3)12(9-18-21)15(22)17-8-10(2)16-4;/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,22);1H.
What are the key properties of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride?
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120828707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).