N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide

C19H17ClFN5OS — CID 51353178

IUPACN-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)c(Cl)c2C2CC2)c(F)c1
InChIInChI=1S/C19H17ClFN5OS/c1-9-18(28-25-23-9)19(27)22-12-6-7-14(13(21)8-12)26-17(11-4-5-11)15(20)16(24-26)10-2-3-10/h6-8,10-11H,2-5H2,1H3,(H,22,27)
InChIKeyRFTNCPFRYIPUHX-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.83
Rot. Bonds5

About N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide

N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 51353178) has the molecular formula C19H17ClFN5OS and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID51353178
Molecular FormulaC19H17ClFN5OS
Molecular Weight417.90 g/mol
Exact Mass417.08
IUPAC NameN-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)c(Cl)c2C2CC2)c(F)c1
InChIInChI=1S/C19H17ClFN5OS/c1-9-18(28-25-23-9)19(27)22-12-6-7-14(13(21)8-12)26-17(11-4-5-11)15(20)16(24-26)10-2-3-10/h6-8,10-11H,2-5H2,1H3,(H,22,27)
InChIKeyRFTNCPFRYIPUHX-UHFFFAOYSA-N
XLogP4.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide (CID 51353178) is N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)c(Cl)c2C2CC2)c(F)c1.
What is the InChIKey of N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is RFTNCPFRYIPUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5OS/c1-9-18(28-25-23-9)19(27)22-12-6-7-14(13(21)8-12)26-17(11-4-5-11)15(20)16(24-26)10-2-3-10/h6-8,10-11H,2-5H2,1H3,(H,22,27).
What are the key properties of N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 51353178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).