3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide

C18H16N6OS — CID 71802173

IUPAC3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H16N6OS/c25-17(16-11-15(22-23-16)13-5-2-1-3-6-13)19-9-7-14-12-26-18(21-14)24-10-4-8-20-24/h1-6,8,10-12H,7,9H2,(H,19,25)(H,22,23)
InChIKeyCUDDTHQUWUXOSB-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.69
Rot. Bonds6

About 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 71802173) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID71802173
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H16N6OS/c25-17(16-11-15(22-23-16)13-5-2-1-3-6-13)19-9-7-14-12-26-18(21-14)24-10-4-8-20-24/h1-6,8,10-12H,7,9H2,(H,19,25)(H,22,23)
InChIKeyCUDDTHQUWUXOSB-UHFFFAOYSA-N
XLogP2.69
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Methyl-1H-pyrazol-3-ylamino)-2-(2-methylthiazol-4-ylmethyl)-2H-phthalazin-1-one
CID 11653244
2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59332253
N-((1H-pyrazol-3-yl)methyl)-2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-5-carboxamide
CID 59481285
N-[(1S)-7-(methylamino)-7-oxo-1-[5-[4-(1H-pyrazol-5-yl)phenyl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 74221664
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 84973049
N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 84973083
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 10271259
N,1-dibenzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxamide
CID 46221409
N-Ethyl-5-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxamide
CID 46889160
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 71802173) is 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCc1csc(-n2cccn2)n1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CUDDTHQUWUXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c25-17(16-11-15(22-23-16)13-5-2-1-3-6-13)19-9-7-14-12-26-18(21-14)24-10-4-8-20-24/h1-6,8,10-12H,7,9H2,(H,19,25)(H,22,23).
What are the key properties of 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71802173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).