N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide

C14H23N5O — CID 56872734

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide
SMILESCCn1nc(C)c(CNC(=O)CN2CCC(C)=N2)c1C
InChIInChI=1S/C14H23N5O/c1-5-19-12(4)13(11(3)17-19)8-15-14(20)9-18-7-6-10(2)16-18/h5-9H2,1-4H3,(H,15,20)
InChIKeyLLCJLINEICURGP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.22
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide (PubChem CID 56872734) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide
PubChem CID56872734
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide
SMILESCCn1nc(C)c(CNC(=O)CN2CCC(C)=N2)c1C
InChIInChI=1S/C14H23N5O/c1-5-19-12(4)13(11(3)17-19)8-15-14(20)9-18-7-6-10(2)16-18/h5-9H2,1-4H3,(H,15,20)
InChIKeyLLCJLINEICURGP-UHFFFAOYSA-N
XLogP1.22
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
N-propyl-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 3136371
N-butan-2-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 3136372
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
N-Isopropyl-2-(3-trifluoromethyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-acetamide
CID 1129760
Sbb010340
CID 6492580
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
CID 39891339
1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063
5-hydroxy-N-isopropyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 46998021
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide
CID 50962692

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide (CID 56872734) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide is CCn1nc(C)c(CNC(=O)CN2CCC(C)=N2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide?
The InChIKey is LLCJLINEICURGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-19-12(4)13(11(3)17-19)8-15-14(20)9-18-7-6-10(2)16-18/h5-9H2,1-4H3,(H,15,20).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-3,4-dihydropyrazol-2-yl)acetamide is sourced from PubChem (CID 56872734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).