2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide

C14H21N5O — CID 19531231

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
SMILESCCn1nccc1CN(C)C(=O)Cn1nc(C)cc1C
InChIInChI=1S/C14H21N5O/c1-5-18-13(6-7-15-18)9-17(4)14(20)10-19-12(3)8-11(2)16-19/h6-8H,5,9-10H2,1-4H3
InChIKeyLCICPKHNDSMNSU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.37
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide (PubChem CID 19531231) 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-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
PubChem CID19531231
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
SMILESCCn1nccc1CN(C)C(=O)Cn1nc(C)cc1C
InChIInChI=1S/C14H21N5O/c1-5-18-13(6-7-15-18)9-17(4)14(20)10-19-12(3)8-11(2)16-19/h6-8H,5,9-10H2,1-4H3
InChIKeyLCICPKHNDSMNSU-UHFFFAOYSA-N
XLogP1.37
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide (CID 19531231) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide is CCn1nccc1CN(C)C(=O)Cn1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The InChIKey is LCICPKHNDSMNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-18-13(6-7-15-18)9-17(4)14(20)10-19-12(3)8-11(2)16-19/h6-8H,5,9-10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide has a molecular weight of 275.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 19531231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).