4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

C14H10ClFN4OS — CID 56802974

IUPAC4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1F)c1scnc1Cl
InChIInChI=1S/C14H10ClFN4OS/c15-13-12(22-8-17-13)14(21)19-11-5-6-18-20(11)7-9-3-1-2-4-10(9)16/h1-6,8H,7H2,(H,19,21)
InChIKeyFGHDEZLCAWSPEK-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.43
Rot. Bonds4

About 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 56802974) has the molecular formula C14H10ClFN4OS and a molecular weight of 336.78 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID56802974
Molecular FormulaC14H10ClFN4OS
Molecular Weight336.78 g/mol
Exact Mass336.02
IUPAC Name4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1F)c1scnc1Cl
InChIInChI=1S/C14H10ClFN4OS/c15-13-12(22-8-17-13)14(21)19-11-5-6-18-20(11)7-9-3-1-2-4-10(9)16/h1-6,8H,7H2,(H,19,21)
InChIKeyFGHDEZLCAWSPEK-UHFFFAOYSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 99714480
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea
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N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 16563538
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
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2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 8006135
1-chloro-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]isoquinoline-3-carboxamide
CID 31911520
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3,5-dichlorobenzamide
CID 18206219
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-[3-[[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 86894062
N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 86894060
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (CID 56802974) is 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccnn1Cc1ccccc1F)c1scnc1Cl.
What is the InChIKey of 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FGHDEZLCAWSPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4OS/c15-13-12(22-8-17-13)14(21)19-11-5-6-18-20(11)7-9-3-1-2-4-10(9)16/h1-6,8H,7H2,(H,19,21).
What are the key properties of 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56802974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).