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

C15H21N7O — CID 133291071

IUPACN,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)N(C)C)CC3)nn2)n1
InChIInChI=1S/C15H21N7O/c1-12-6-7-22(18-12)14-5-4-13(16-17-14)20-8-10-21(11-9-20)15(23)19(2)3/h4-7H,8-11H2,1-3H3
InChIKeyVKMWQUJISSUSDA-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.77
Rot. Bonds2

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

N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 133291071) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID133291071
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)N(C)C)CC3)nn2)n1
InChIInChI=1S/C15H21N7O/c1-12-6-7-22(18-12)14-5-4-13(16-17-14)20-8-10-21(11-9-20)15(23)19(2)3/h4-7H,8-11H2,1-3H3
InChIKeyVKMWQUJISSUSDA-UHFFFAOYSA-N
XLogP0.77
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 133290882
(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345832
(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034120
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
2-(2-chlorophenyl)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345835
2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345868
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
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345889
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122346068
N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921616

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide (CID 133291071) is N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is Cc1ccn(-c2ccc(N3CCN(C(=O)N(C)C)CC3)nn2)n1.
What is the InChIKey of N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is VKMWQUJISSUSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-12-6-7-22(18-12)14-5-4-13(16-17-14)20-8-10-21(11-9-20)15(23)19(2)3/h4-7H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide?
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 133291071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).