N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide

C17H20N6O — CID 96578014

IUPACN-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn([C@H](C)Cc3cc(C)[nH]n3)nn2)cc1
InChIInChI=1S/C17H20N6O/c1-11-8-16(20-19-11)9-12(2)23-10-17(21-22-23)14-4-6-15(7-5-14)18-13(3)24/h4-8,10,12H,9H2,1-3H3,(H,18,24)(H,19,20)/t12-/m1/s1
InChIKeyDVSGVSJPCXTQQB-GFCCVEGCSA-N
MW324.39 g/mol
LogP2.74
Rot. Bonds5

About N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide

N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide (PubChem CID 96578014) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide
PubChem CID96578014
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn([C@H](C)Cc3cc(C)[nH]n3)nn2)cc1
InChIInChI=1S/C17H20N6O/c1-11-8-16(20-19-11)9-12(2)23-10-17(21-22-23)14-4-6-15(7-5-14)18-13(3)24/h4-8,10,12H,9H2,1-3H3,(H,18,24)(H,19,20)/t12-/m1/s1
InChIKeyDVSGVSJPCXTQQB-GFCCVEGCSA-N
XLogP2.74
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide (CID 96578014) is N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cn([C@H](C)Cc3cc(C)[nH]n3)nn2)cc1.
What is the InChIKey of N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide?
The InChIKey is DVSGVSJPCXTQQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-8-16(20-19-11)9-12(2)23-10-17(21-22-23)14-4-6-15(7-5-14)18-13(3)24/h4-8,10,12H,9H2,1-3H3,(H,18,24)(H,19,20)/t12-/m1/s1.
What are the key properties of N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide?
N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 96578014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).