2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

C13H18ClN5O — CID 91797470

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cn1cc(Cl)c(C)n1)c1ccnn1C
InChIInChI=1S/C13H18ClN5O/c1-4-11(12-5-6-15-18(12)3)16-13(20)8-19-7-10(14)9(2)17-19/h5-7,11H,4,8H2,1-3H3,(H,16,20)
InChIKeyMUHYMOPCZSUVFH-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (PubChem CID 91797470) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
PubChem CID91797470
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cn1cc(Cl)c(C)n1)c1ccnn1C
InChIInChI=1S/C13H18ClN5O/c1-4-11(12-5-6-15-18(12)3)16-13(20)8-19-7-10(14)9(2)17-19/h5-7,11H,4,8H2,1-3H3,(H,16,20)
InChIKeyMUHYMOPCZSUVFH-UHFFFAOYSA-N
XLogP1.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (CID 91797470) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is CCC(NC(=O)Cn1cc(Cl)c(C)n1)c1ccnn1C.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The InChIKey is MUHYMOPCZSUVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-4-11(12-5-6-15-18(12)3)16-13(20)8-19-7-10(14)9(2)17-19/h5-7,11H,4,8H2,1-3H3,(H,16,20).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide has a molecular weight of 295.77 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is sourced from PubChem (CID 91797470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).