N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

C21H25N7O — CID 56921616

IUPACN-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1
InChIInChI=1S/C21H25N7O/c1-3-17-4-6-18(7-5-17)22-21(29)27-14-12-26(13-15-27)19-8-9-20(24-23-19)28-11-10-16(2)25-28/h4-11H,3,12-15H2,1-2H3,(H,22,29)
InChIKeyHPJQGTMRJRIDJF-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.89
Rot. Bonds4

About N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide

N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 56921616) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID56921616
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1
InChIInChI=1S/C21H25N7O/c1-3-17-4-6-18(7-5-17)22-21(29)27-14-12-26(13-15-27)19-8-9-20(24-23-19)28-11-10-16(2)25-28/h4-11H,3,12-15H2,1-2H3,(H,22,29)
InChIKeyHPJQGTMRJRIDJF-UHFFFAOYSA-N
XLogP2.89
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 47001565
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 122345827
N-(2,4-dimethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921024
N-(2-fluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56920257
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122346068
N-(3-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56921079
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (CID 56921616) is N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is HPJQGTMRJRIDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-3-17-4-6-18(7-5-17)22-21(29)27-14-12-26(13-15-27)19-8-9-20(24-23-19)28-11-10-16(2)25-28/h4-11H,3,12-15H2,1-2H3,(H,22,29).
What are the key properties of N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 56921616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).