N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide

C21H23ClN6O2 — CID 39624781

IUPACN-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)n2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)c2n1
InChIInChI=1S/C21H23ClN6O2/c1-14-11-15(2)28-20(24-14)16(12-23-28)21(30)27-9-7-26(8-10-27)13-19(29)25-18-6-4-3-5-17(18)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,29)
InChIKeyNBAYYEONSVYCQR-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.40
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 39624781) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID39624781
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC NameN-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)n2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)c2n1
InChIInChI=1S/C21H23ClN6O2/c1-14-11-15(2)28-20(24-14)16(12-23-28)21(30)27-9-7-26(8-10-27)13-19(29)25-18-6-4-3-5-17(18)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,29)
InChIKeyNBAYYEONSVYCQR-UHFFFAOYSA-N
XLogP2.40
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
N-(2-fluorophenyl)-2-[4-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 126776600
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 51725471
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
4-[[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 34977953
N-(2-chlorophenyl)-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860881
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-morpholin-4-ylmethanone
CID 17060260
ethyl 6-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55600906
2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833686
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441921
N-(2-chlorophenyl)-2-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 31333538

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide (CID 39624781) is N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide is Cc1cc(C)n2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)c2n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is NBAYYEONSVYCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-14-11-15(2)28-20(24-14)16(12-23-28)21(30)27-9-7-26(8-10-27)13-19(29)25-18-6-4-3-5-17(18)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 426.91 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 39624781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).