5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H11Cl2N5OS — CID 71512462

IUPAC5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)c(NC(=O)c2cnn3ccc(Cl)nc23)s1
InChIInChI=1S/C17H11Cl2N5OS/c1-9-21-14(10-3-2-4-11(18)7-10)17(26-9)23-16(25)12-8-20-24-6-5-13(19)22-15(12)24/h2-8H,1H3,(H,23,25)
InChIKeyLKHCCARIEQJDRC-UHFFFAOYSA-N
MW404.28 g/mol
LogP4.72
Rot. Bonds3

About 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71512462) has the molecular formula C17H11Cl2N5OS and a molecular weight of 404.28 g/mol. Its IUPAC name is 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71512462
Molecular FormulaC17H11Cl2N5OS
Molecular Weight404.28 g/mol
Exact Mass403.01
IUPAC Name5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)c(NC(=O)c2cnn3ccc(Cl)nc23)s1
InChIInChI=1S/C17H11Cl2N5OS/c1-9-21-14(10-3-2-4-11(18)7-10)17(26-9)23-16(25)12-8-20-24-6-5-13(19)22-15(12)24/h2-8H,1H3,(H,23,25)
InChIKeyLKHCCARIEQJDRC-UHFFFAOYSA-N
XLogP4.72
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
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N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
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5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71512462) is 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(-c2cccc(Cl)c2)c(NC(=O)c2cnn3ccc(Cl)nc23)s1.
What is the InChIKey of 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LKHCCARIEQJDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5OS/c1-9-21-14(10-3-2-4-11(18)7-10)17(26-9)23-16(25)12-8-20-24-6-5-13(19)22-15(12)24/h2-8H,1H3,(H,23,25).
What are the key properties of 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.28 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71512462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).