N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C20H29N7O — CID 154796728

IUPACN-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C20H29N7O/c1-24(17-7-13-25(14-8-17)15-16-27-12-4-9-21-27)20(28)18-5-6-19(23-22-18)26-10-2-3-11-26/h4-6,9,12,17H,2-3,7-8,10-11,13-16H2,1H3
InChIKeyYAEQGECABNKGAR-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.51
Rot. Bonds6

About N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 154796728) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID154796728
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C20H29N7O/c1-24(17-7-13-25(14-8-17)15-16-27-12-4-9-21-27)20(28)18-5-6-19(23-22-18)26-10-2-3-11-26/h4-6,9,12,17H,2-3,7-8,10-11,13-16H2,1H3
InChIKeyYAEQGECABNKGAR-UHFFFAOYSA-N
XLogP1.51
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111762
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
CID 122138801
2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
CID 119903137
N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
CID 119903136
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524922
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95336321
N-cyclopentyl-6-(ethylamino)-N-methylpyridazine-3-carboxamide
CID 62168959
N-cyclohexyl-N-methyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035078
N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 133454251
3-propan-2-yl-6-[4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]piperidin-1-yl]pyridazine
CID 155505349

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 154796728) is N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is YAEQGECABNKGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-24(17-7-13-25(14-8-17)15-16-27-12-4-9-21-27)20(28)18-5-6-19(23-22-18)26-10-2-3-11-26/h4-6,9,12,17H,2-3,7-8,10-11,13-16H2,1H3.
What are the key properties of N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 154796728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).