1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide

C15H18F3N5OS — CID 175649018

IUPAC1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3nc(C(F)(F)F)cs3)C2)nn1C
InChIInChI=1S/C15H18F3N5OS/c1-9-6-11(21-22(9)2)13(24)19-10-4-3-5-23(7-10)14-20-12(8-25-14)15(16,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,19,24)
InChIKeyNPQASLNBQLYBNH-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.60
Rot. Bonds3

About 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide

1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 175649018) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID175649018
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC Name1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3nc(C(F)(F)F)cs3)C2)nn1C
InChIInChI=1S/C15H18F3N5OS/c1-9-6-11(21-22(9)2)13(24)19-10-4-3-5-23(7-10)14-20-12(8-25-14)15(16,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,19,24)
InChIKeyNPQASLNBQLYBNH-UHFFFAOYSA-N
XLogP2.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10065972, Example 313
CID 124154652
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
2-(3,5-Dimethylpyrazol-1-YL)-N-[2-(piperidine-1-sulfonyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46969398
[5-[2-(Methylamino)-1,3-thiazole-4-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50949440
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417
US20230285377, Example 47
CID 166760897
US20230285377, Example 46
CID 166760923
N-(5-acetyl-4-methylthiazol-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 16952132
ethyl 2-(1,5-dimethyl-1H-pyrazole-3-carboxamido)-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate
CID 16952291

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide (CID 175649018) is 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(c3nc(C(F)(F)F)cs3)C2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is NPQASLNBQLYBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-9-6-11(21-22(9)2)13(24)19-10-4-3-5-23(7-10)14-20-12(8-25-14)15(16,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,19,24).
What are the key properties of 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 175649018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).