N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide

C17H16N4OS — CID 167769093

IUPACN-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide
SMILESCc1ccccc1-c1cnc(NC(=O)C2CCc3cn[nH]c32)s1
InChIInChI=1S/C17H16N4OS/c1-10-4-2-3-5-12(10)14-9-18-17(23-14)20-16(22)13-7-6-11-8-19-21-15(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyYZGHDRMNSGTSDY-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.51
Rot. Bonds3

About N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide

N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide (PubChem CID 167769093) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide
PubChem CID167769093
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide
SMILESCc1ccccc1-c1cnc(NC(=O)C2CCc3cn[nH]c32)s1
InChIInChI=1S/C17H16N4OS/c1-10-4-2-3-5-12(10)14-9-18-17(23-14)20-16(22)13-7-6-11-8-19-21-15(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyYZGHDRMNSGTSDY-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide?
The IUPAC name of N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide (CID 167769093) is N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide.
What is the SMILES notation for N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide?
The canonical SMILES for N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide is Cc1ccccc1-c1cnc(NC(=O)C2CCc3cn[nH]c32)s1.
What is the InChIKey of N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide?
The InChIKey is YZGHDRMNSGTSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-10-4-2-3-5-12(10)14-9-18-17(23-14)20-16(22)13-7-6-11-8-19-21-15(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide?
N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide is sourced from PubChem (CID 167769093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).