N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide

C18H28N6O — CID 126454183

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)Cn1ccc([C@@H]2CCCNC2)n1
InChIInChI=1S/C18H28N6O/c1-13-16(14(2)21-20-13)6-9-23(3)18(25)12-24-10-7-17(22-24)15-5-4-8-19-11-15/h7,10,15,19H,4-6,8-9,11-12H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyBNPBSSDZOMWSMN-OAHLLOKOSA-N
MW344.46 g/mol
LogP1.39
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126454183) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126454183
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)Cn1ccc([C@@H]2CCCNC2)n1
InChIInChI=1S/C18H28N6O/c1-13-16(14(2)21-20-13)6-9-23(3)18(25)12-24-10-7-17(22-24)15-5-4-8-19-11-15/h7,10,15,19H,4-6,8-9,11-12H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyBNPBSSDZOMWSMN-OAHLLOKOSA-N
XLogP1.39
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-ethyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-propylacetamide
CID 119073593
N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
CID 154903804
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154906002
N-[(4-chlorophenyl)methyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
CID 126437716
ethyl 4-[[2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 126436811
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride
CID 154904644
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126438280
N-(oxan-4-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126440551
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 126423858
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068274
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126454183) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide is Cc1n[nH]c(C)c1CCN(C)C(=O)Cn1ccc([C@@H]2CCCNC2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is BNPBSSDZOMWSMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13-16(14(2)21-20-13)6-9-23(3)18(25)12-24-10-7-17(22-24)15-5-4-8-19-11-15/h7,10,15,19H,4-6,8-9,11-12H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126454183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).