N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide

C15H27N5O — CID 102736721

IUPACN-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide
SMILESCNCc1c(C)nn(C)c1N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C15H27N5O/c1-11-14(10-16-3)15(19(4)18-11)20-7-5-13(6-8-20)9-17-12(2)21/h13,16H,5-10H2,1-4H3,(H,17,21)
InChIKeyWEVQWGKYYORRIS-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.80
Rot. Bonds5

About N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide

N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736721) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide
PubChem CID102736721
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide
SMILESCNCc1c(C)nn(C)c1N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C15H27N5O/c1-11-14(10-16-3)15(19(4)18-11)20-7-5-13(6-8-20)9-17-12(2)21/h13,16H,5-10H2,1-4H3,(H,17,21)
InChIKeyWEVQWGKYYORRIS-UHFFFAOYSA-N
XLogP0.80
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
CID 62941352
N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide
CID 102735928
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55159710
2-[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228127
1-[1,3-dimethyl-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43585515
1-[5-(4,4-diethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63158522
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629
1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 79943900
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]methanamine
CID 51105035
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474817
N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide
CID 102737118

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide (CID 102736721) is N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide is CNCc1c(C)nn(C)c1N1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is WEVQWGKYYORRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-14(10-16-3)15(19(4)18-11)20-7-5-13(6-8-20)9-17-12(2)21/h13,16H,5-10H2,1-4H3,(H,17,21).
What are the key properties of N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide?
N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).