2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide

C17H20ClN7O — CID 72905569

IUPAC2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide
SMILESCc1cnc2c(Cl)c(-c3nc(CC(N)=O)nn3C3CCCCC3)nn2c1
InChIInChI=1S/C17H20ClN7O/c1-10-8-20-16-14(18)15(23-24(16)9-10)17-21-13(7-12(19)26)22-25(17)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,19,26)
InChIKeyZBOUZOPXVWFVDY-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.48
Rot. Bonds4

About 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide

2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 72905569) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide
PubChem CID72905569
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC Name2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide
SMILESCc1cnc2c(Cl)c(-c3nc(CC(N)=O)nn3C3CCCCC3)nn2c1
InChIInChI=1S/C17H20ClN7O/c1-10-8-20-16-14(18)15(23-24(16)9-10)17-21-13(7-12(19)26)22-25(17)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,19,26)
InChIKeyZBOUZOPXVWFVDY-UHFFFAOYSA-N
XLogP2.48
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide
CID 72892875
3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77083829
N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide
CID 68750982
2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide
CID 72900090
2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide
CID 72939759
2-[1-cyclohexyl-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]acetamide
CID 97269576
2-[1-cyclohexyl-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 72846394
ethyl 4-chloro-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11301265
6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane
CID 142484560
3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118795094
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone
CID 77080412
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 97444504

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide (CID 72905569) is 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide is Cc1cnc2c(Cl)c(-c3nc(CC(N)=O)nn3C3CCCCC3)nn2c1.
What is the InChIKey of 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ZBOUZOPXVWFVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c1-10-8-20-16-14(18)15(23-24(16)9-10)17-21-13(7-12(19)26)22-25(17)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,19,26).
What are the key properties of 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide?
2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 373.85 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72905569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).