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

C17H13ClN6OS — CID 58063084

IUPAC5-amino-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(N)nc23)s1
InChIInChI=1S/C17H13ClN6OS/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,(H2,19,22)(H,23,25)
InChIKeyNPRMPQSNJGVJOQ-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.65
Rot. Bonds3

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

5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063084) has the molecular formula C17H13ClN6OS and a molecular weight of 384.85 g/mol. Its IUPAC name is 5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063084
Molecular FormulaC17H13ClN6OS
Molecular Weight384.85 g/mol
Exact Mass384.06
IUPAC Name5-amino-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(N)nc23)s1
InChIInChI=1S/C17H13ClN6OS/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,(H2,19,22)(H,23,25)
InChIKeyNPRMPQSNJGVJOQ-UHFFFAOYSA-N
XLogP3.65
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063084) is 5-amino-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-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-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(N)nc23)s1.
What is the InChIKey of 5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NPRMPQSNJGVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6OS/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,(H2,19,22)(H,23,25).
What are the key properties of 5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.85 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).