N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide

C19H15F2N9OS — CID 177043584

IUPACN-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2nnn(-c3ccc(F)cc3F)n2)c2nc(C#N)cs2)cn1
InChIInChI=1S/C19H15F2N9OS/c1-19(11-7-24-29(2)8-11,18-25-13(6-22)9-32-18)10-23-17(31)16-26-28-30(27-16)15-4-3-12(20)5-14(15)21/h3-5,7-9H,10H2,1-2H3,(H,23,31)
InChIKeyWPBZLMRGFBPBTG-UHFFFAOYSA-N
MW455.45 g/mol
LogP1.74
Rot. Bonds6

About N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide

N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide (PubChem CID 177043584) has the molecular formula C19H15F2N9OS and a molecular weight of 455.45 g/mol. Its IUPAC name is N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
PubChem CID177043584
Molecular FormulaC19H15F2N9OS
Molecular Weight455.45 g/mol
Exact Mass455.11
IUPAC NameN-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2nnn(-c3ccc(F)cc3F)n2)c2nc(C#N)cs2)cn1
InChIInChI=1S/C19H15F2N9OS/c1-19(11-7-24-29(2)8-11,18-25-13(6-22)9-32-18)10-23-17(31)16-26-28-30(27-16)15-4-3-12(20)5-14(15)21/h3-5,7-9H,10H2,1-2H3,(H,23,31)
InChIKeyWPBZLMRGFBPBTG-UHFFFAOYSA-N
XLogP1.74
TPSA127.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-(5-cyano-1-methylpyrazol-4-yl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
CID 178118286
N-[2-(4-chloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934073
N-[2-(6-cyclopropyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2,4-difluorophenyl)triazole-4-carboxamide
CID 171488960
N-[2-(2,5-dichloro-1,3-thiazol-4-yl)-2-(1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 168934091
N-[2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-1-(2-fluorophenyl)triazole-4-carboxamide
CID 177043581
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
N-[2-(6-chloro-2-pyridinyl)-2-(1-methylpyrazol-4-yl)butyl]-5-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 167452006
1-[(4-cyano-2-fluorophenyl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111459097
1-(2-chloro-4-methylphenyl)-N-[2-(6-chloro-2-pyridinyl)-2-(1-methylpyrazol-4-yl)propyl]-5-methyltriazole-4-carboxamide
CID 177169501
4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide
CID 111696564
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
1-(2-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458897

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide?
The IUPAC name of N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide (CID 177043584) is N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide is Cn1cc(C(C)(CNC(=O)c2nnn(-c3ccc(F)cc3F)n2)c2nc(C#N)cs2)cn1.
What is the InChIKey of N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide?
The InChIKey is WPBZLMRGFBPBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N9OS/c1-19(11-7-24-29(2)8-11,18-25-13(6-22)9-32-18)10-23-17(31)16-26-28-30(27-16)15-4-3-12(20)5-14(15)21/h3-5,7-9H,10H2,1-2H3,(H,23,31).
What are the key properties of N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide?
N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide has a molecular weight of 455.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide is sourced from PubChem (CID 177043584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).