2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide

C11H15N5O — CID 64532408

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H15N5O/c1-7-9(8(2)16-15-7)5-11(17)14-6-10-12-3-4-13-10/h3-4H,5-6H2,1-2H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeySPQQFOTVCAXTOJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.61
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide (PubChem CID 64532408) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
PubChem CID64532408
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H15N5O/c1-7-9(8(2)16-15-7)5-11(17)14-6-10-12-3-4-13-10/h3-4H,5-6H2,1-2H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeySPQQFOTVCAXTOJ-UHFFFAOYSA-N
XLogP0.61
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide (CID 64532408) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is SPQQFOTVCAXTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-9(8(2)16-15-7)5-11(17)14-6-10-12-3-4-13-10/h3-4H,5-6H2,1-2H3,(H,12,13)(H,14,17)(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 64532408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).