N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18ClN5O4S — CID 55817712

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18ClN5O4S/c1-12-16(17-20-5-2-6-24(17)22-12)18(25)21-13-3-4-14(19)15(11-13)29(26,27)23-7-9-28-10-8-23/h2-6,11H,7-10H2,1H3,(H,21,25)
InChIKeyCHBVHACROKVEAJ-UHFFFAOYSA-N
MW435.89 g/mol
LogP1.96
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55817712) has the molecular formula C18H18ClN5O4S and a molecular weight of 435.89 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55817712
Molecular FormulaC18H18ClN5O4S
Molecular Weight435.89 g/mol
Exact Mass435.08
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18ClN5O4S/c1-12-16(17-20-5-2-6-24(17)22-12)18(25)21-13-3-4-14(19)15(11-13)29(26,27)23-7-9-28-10-8-23/h2-6,11H,7-10H2,1H3,(H,21,25)
InChIKeyCHBVHACROKVEAJ-UHFFFAOYSA-N
XLogP1.96
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 30270506
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 24673153
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684553
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 27007356
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462160
ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600436
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55343028
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55486331

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55817712) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CHBVHACROKVEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O4S/c1-12-16(17-20-5-2-6-24(17)22-12)18(25)21-13-3-4-14(19)15(11-13)29(26,27)23-7-9-28-10-8-23/h2-6,11H,7-10H2,1H3,(H,21,25).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55817712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).