N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide

C17H24N6O2 — CID 164635920

IUPACN-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(N2CCC[C@H](NC(=O)c3cn(C)nc3C)C2)ccc1=O
InChIInChI=1S/C17H24N6O2/c1-4-23-16(24)8-7-15(20-23)22-9-5-6-13(10-22)18-17(25)14-11-21(3)19-12(14)2/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,25)/t13-/m0/s1
InChIKeyQCFIFBBCQJCYSX-ZDUSSCGKSA-N
MW344.42 g/mol
LogP0.70
Rot. Bonds4

About N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide

N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 164635920) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID164635920
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(N2CCC[C@H](NC(=O)c3cn(C)nc3C)C2)ccc1=O
InChIInChI=1S/C17H24N6O2/c1-4-23-16(24)8-7-15(20-23)22-9-5-6-13(10-22)18-17(25)14-11-21(3)19-12(14)2/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,25)/t13-/m0/s1
InChIKeyQCFIFBBCQJCYSX-ZDUSSCGKSA-N
XLogP0.70
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647
2-(4-(4-ethylpiperazine-1-carbonyl)-5-methyl-1H-py
CID 136245321
2-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049288
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72879541
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
5-methyl-1-propyl-N-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazole-4-carboxamide
CID 72884873
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 42352823
5-(1-Ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201430
3-(4-Methyl-1H-pyrazol-1-YL)-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-YL)piperidin-4-YL]propanamide
CID 124038385

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 164635920) is N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide is CCn1nc(N2CCC[C@H](NC(=O)c3cn(C)nc3C)C2)ccc1=O.
What is the InChIKey of N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is QCFIFBBCQJCYSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-23-16(24)8-7-15(20-23)22-9-5-6-13(10-22)18-17(25)14-11-21(3)19-12(14)2/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,25)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-ethyl-6-oxopyridazin-3-yl)piperidin-3-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 164635920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).