N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C15H12ClFN4O — CID 53040999

IUPACN-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)cc(C)n2n1
InChIInChI=1S/C15H12ClFN4O/c1-8-5-14-19-13(6-9(2)21(14)20-8)15(22)18-10-3-4-12(17)11(16)7-10/h3-7H,1-2H3,(H,18,22)
InChIKeyCVHZMZDXEMUQNJ-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.39
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040999) has the molecular formula C15H12ClFN4O and a molecular weight of 318.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040999
Molecular FormulaC15H12ClFN4O
Molecular Weight318.74 g/mol
Exact Mass318.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)cc(C)n2n1
InChIInChI=1S/C15H12ClFN4O/c1-8-5-14-19-13(6-9(2)21(14)20-8)15(22)18-10-3-4-12(17)11(16)7-10/h3-7H,1-2H3,(H,18,22)
InChIKeyCVHZMZDXEMUQNJ-UHFFFAOYSA-N
XLogP3.39
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863263
methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate
CID 53041004
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
N-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175376
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 998467
N-(3-chloro-4-fluorophenyl)-2-[4-(dimethylamino)anilino]-6-methylpyrimidine-4-carboxamide
CID 109337360
N-(3-chloro-4-fluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362807
1-(3-chloro-4-fluorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786354
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040999) is N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)cc(C)n2n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CVHZMZDXEMUQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O/c1-8-5-14-19-13(6-9(2)21(14)20-8)15(22)18-10-3-4-12(17)11(16)7-10/h3-7H,1-2H3,(H,18,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 318.74 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).