N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide

C16H16F4N4OS — CID 172633841

IUPACN-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C16H16F4N4OS/c1-8-11(9-4-15(17,18)5-9)23-24(14-21-2-3-26-14)12(8)22-13(25)10-6-16(19,20)7-10/h2-3,9-10H,4-7H2,1H3,(H,22,25)
InChIKeySKTCEKKEPMHWOG-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.13
Rot. Bonds4

About N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide

N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 172633841) has the molecular formula C16H16F4N4OS and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID172633841
Molecular FormulaC16H16F4N4OS
Molecular Weight388.39 g/mol
Exact Mass388.10
IUPAC NameN-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C16H16F4N4OS/c1-8-11(9-4-15(17,18)5-9)23-24(14-21-2-3-26-14)12(8)22-13(25)10-6-16(19,20)7-10/h2-3,9-10H,4-7H2,1H3,(H,22,25)
InChIKeySKTCEKKEPMHWOG-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267474
N-[4-cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclobutyl]acetamide
CID 169169259
2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 169169282
(1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169311
N-[3-(2-tert-butyl-1,3-thiazol-5-yl)-4-cyclobutyl-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169583
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide
CID 169169592
N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3-fluoro-3-methylcyclobutane-1-carboxamide
CID 169169804
N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169877
N-[3-(2-tert-butyl-1,3-thiazol-5-yl)-4-cyclobutyl-1-methylpyrazol-5-yl]-2-[(1S)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 170134579
(1R)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170136942
N-[4-cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-yl]-2-[(1S)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633581

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide (CID 172633841) is N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide is Cc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is SKTCEKKEPMHWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4OS/c1-8-11(9-4-15(17,18)5-9)23-24(14-21-2-3-26-14)12(8)22-13(25)10-6-16(19,20)7-10/h2-3,9-10H,4-7H2,1H3,(H,22,25).
What are the key properties of N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 172633841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).