N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H15ClN4OS2 — CID 19416640

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C23H15ClN4OS2/c24-15-7-9-16(10-8-15)31-20-5-2-1-4-18(20)27-23(29)17-14-26-28-19(11-12-25-22(17)28)21-6-3-13-30-21/h1-14H,(H,27,29)
InChIKeyACZBEPXQAWIMSZ-UHFFFAOYSA-N
MW462.99 g/mol
LogP6.51
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416640) has the molecular formula C23H15ClN4OS2 and a molecular weight of 462.99 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416640
Molecular FormulaC23H15ClN4OS2
Molecular Weight462.99 g/mol
Exact Mass462.04
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C23H15ClN4OS2/c24-15-7-9-16(10-8-15)31-20-5-2-1-4-18(20)27-23(29)17-14-26-28-19(11-12-25-22(17)28)21-6-3-13-30-21/h1-14H,(H,27,29)
InChIKeyACZBEPXQAWIMSZ-UHFFFAOYSA-N
XLogP6.51
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.99
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[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-(2-benzoyl-4-chlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416651
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416757
N-(2-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416752
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19403252
N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416709
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19286060
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416776
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19408642
N-(2,6-dibromo-4-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416648
ethyl 5-carbamoyl-4-methyl-2-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 19416686

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416640) is N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ACZBEPXQAWIMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4OS2/c24-15-7-9-16(10-8-15)31-20-5-2-1-4-18(20)27-23(29)17-14-26-28-19(11-12-25-22(17)28)21-6-3-13-30-21/h1-14H,(H,27,29).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.99 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).