N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide

C27H20F2N4O2S — CID 162676846

IUPACN-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C27H20F2N4O2S/c1-16-24(36-26(30-16)19-9-7-18(8-10-19)17-5-3-2-4-6-17)22-15-23(33-32-22)25(34)31-20-11-13-21(14-12-20)35-27(28)29/h2-15,27H,1H3,(H,31,34)(H,32,33)
InChIKeyMEVRDOALUSSXAJ-UHFFFAOYSA-N
MW502.55 g/mol
LogP7.03
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide

N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 162676846) has the molecular formula C27H20F2N4O2S and a molecular weight of 502.55 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID162676846
Molecular FormulaC27H20F2N4O2S
Molecular Weight502.55 g/mol
Exact Mass502.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C27H20F2N4O2S/c1-16-24(36-26(30-16)19-9-7-18(8-10-19)17-5-3-2-4-6-17)22-15-23(33-32-22)25(34)31-20-11-13-21(14-12-20)35-27(28)29/h2-15,27H,1H3,(H,31,34)(H,32,33)
InChIKeyMEVRDOALUSSXAJ-UHFFFAOYSA-N
XLogP7.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.55
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide (CID 162676846) is N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccc(OC(F)F)cc2)n[nH]1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is MEVRDOALUSSXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O2S/c1-16-24(36-26(30-16)19-9-7-18(8-10-19)17-5-3-2-4-6-17)22-15-23(33-32-22)25(34)31-20-11-13-21(14-12-20)35-27(28)29/h2-15,27H,1H3,(H,31,34)(H,32,33).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 502.55 g/mol, XLogP of 7.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 162676846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).