2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

C14H19N5O2 — CID 77081443

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCCc2cn[nH]c2)c1C
InChIInChI=1S/C14H19N5O2/c1-9-14(11(3)20)10(2)19(18-9)8-13(21)15-5-4-12-6-16-17-7-12/h6-7H,4-5,8H2,1-3H3,(H,15,21)(H,16,17)
InChIKeyAIADRLDVMGMHHP-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.78
Rot. Bonds6

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 77081443) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID77081443
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCCc2cn[nH]c2)c1C
InChIInChI=1S/C14H19N5O2/c1-9-14(11(3)20)10(2)19(18-9)8-13(21)15-5-4-12-6-16-17-7-12/h6-7H,4-5,8H2,1-3H3,(H,15,21)(H,16,17)
InChIKeyAIADRLDVMGMHHP-UHFFFAOYSA-N
XLogP0.78
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
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CID 91796824
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CID 118794401
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CID 91778612
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (CID 77081443) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is CC(=O)c1c(C)nn(CC(=O)NCCc2cn[nH]c2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is AIADRLDVMGMHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-14(11(3)20)10(2)19(18-9)8-13(21)15-5-4-12-6-16-17-7-12/h6-7H,4-5,8H2,1-3H3,(H,15,21)(H,16,17).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 77081443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).