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

C14H21N5O — CID 62040075

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCCCc2cn[nH]c2C)n1
InChIInChI=1S/C14H21N5O/c1-10-7-11(2)19(18-10)9-14(20)15-6-4-5-13-8-16-17-12(13)3/h7-8H,4-6,9H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyYOKNMXSDUAPIQH-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.28
Rot. Bonds6

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

2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (PubChem CID 62040075) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
PubChem CID62040075
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCCCc2cn[nH]c2C)n1
InChIInChI=1S/C14H21N5O/c1-10-7-11(2)19(18-10)9-14(20)15-6-4-5-13-8-16-17-12(13)3/h7-8H,4-6,9H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyYOKNMXSDUAPIQH-UHFFFAOYSA-N
XLogP1.28
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 79530881
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 62038805
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide
CID 156761758
3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62038180
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43648264
3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (CID 62040075) is 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is Cc1cc(C)n(CC(=O)NCCCc2cn[nH]c2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The InChIKey is YOKNMXSDUAPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-7-11(2)19(18-10)9-14(20)15-6-4-5-13-8-16-17-12(13)3/h7-8H,4-6,9H2,1-3H3,(H,15,20)(H,16,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide has a molecular weight of 275.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 62040075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).