N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide

C14H25N5O — CID 102735928

IUPACN-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide
SMILESCCc1nn(C)c(N2CCC(CNC(C)=O)CC2)c1N
InChIInChI=1S/C14H25N5O/c1-4-12-13(15)14(18(3)17-12)19-7-5-11(6-8-19)9-16-10(2)20/h11H,4-9,15H2,1-3H3,(H,16,20)
InChIKeySXRNOGSXZRUWGP-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.92
Rot. Bonds4

About N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 102735928) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide
PubChem CID102735928
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide
SMILESCCc1nn(C)c(N2CCC(CNC(C)=O)CC2)c1N
InChIInChI=1S/C14H25N5O/c1-4-12-13(15)14(18(3)17-12)19-7-5-11(6-8-19)9-16-10(2)20/h11H,4-9,15H2,1-3H3,(H,16,20)
InChIKeySXRNOGSXZRUWGP-UHFFFAOYSA-N
XLogP0.92
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66013850
N-[[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methyl]acetamide
CID 102736721
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpiperidine-4-carboxamide
CID 66017883
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol
CID 81096865
N-[[1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737052
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 113335507
1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone
CID 66018435
5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 79188895
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylazepan-4-ol
CID 107403606
cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117193
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide (CID 102735928) is N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide is CCc1nn(C)c(N2CCC(CNC(C)=O)CC2)c1N.
What is the InChIKey of N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is SXRNOGSXZRUWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-12-13(15)14(18(3)17-12)19-7-5-11(6-8-19)9-16-10(2)20/h11H,4-9,15H2,1-3H3,(H,16,20).
What are the key properties of N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102735928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).