2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

C14H20ClN5O2 — CID 125168181

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCOC[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1ccnn1C
InChIInChI=1S/C14H20ClN5O2/c1-9-14(15)10(2)20(18-9)7-13(21)17-11(8-22-4)12-5-6-16-19(12)3/h5-6,11H,7-8H2,1-4H3,(H,17,21)/t11-/m0/s1
InChIKeyOZVAWICSTNULOS-NSHDSACASA-N
MW325.80 g/mol
LogP1.39
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 125168181) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID125168181
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCOC[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1ccnn1C
InChIInChI=1S/C14H20ClN5O2/c1-9-14(15)10(2)20(18-9)7-13(21)17-11(8-22-4)12-5-6-16-19(12)3/h5-6,11H,7-8H2,1-4H3,(H,17,21)/t11-/m0/s1
InChIKeyOZVAWICSTNULOS-NSHDSACASA-N
XLogP1.39
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide (CID 125168181) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide is COC[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1ccnn1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is OZVAWICSTNULOS-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClN5O2/c1-9-14(15)10(2)20(18-9)7-13(21)17-11(8-22-4)12-5-6-16-19(12)3/h5-6,11H,7-8H2,1-4H3,(H,17,21)/t11-/m0/s1.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 325.80 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 125168181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).