3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide

C27H23ClFN3O2 — CID 57205191

IUPAC3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESCC1(C)CCc2cc(NC(=O)n3cc(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)n3)ccc2O1
InChIInChI=1S/C27H23ClFN3O2/c1-27(2)14-13-19-15-22(11-12-24(19)34-27)30-26(33)32-16-23(17-5-9-21(29)10-6-17)25(31-32)18-3-7-20(28)8-4-18/h3-12,15-16H,13-14H2,1-2H3,(H,30,33)
InChIKeyGLHTWSKIOFWQNS-UHFFFAOYSA-N
MW475.95 g/mol
LogP7.19
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide

3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide (PubChem CID 57205191) has the molecular formula C27H23ClFN3O2 and a molecular weight of 475.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
PubChem CID57205191
Molecular FormulaC27H23ClFN3O2
Molecular Weight475.95 g/mol
Exact Mass475.15
IUPAC Name3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESCC1(C)CCc2cc(NC(=O)n3cc(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)n3)ccc2O1
InChIInChI=1S/C27H23ClFN3O2/c1-27(2)14-13-19-15-22(11-12-24(19)34-27)30-26(33)32-16-23(17-5-9-21(29)10-6-17)25(31-32)18-3-7-20(28)8-4-18/h3-12,15-16H,13-14H2,1-2H3,(H,30,33)
InChIKeyGLHTWSKIOFWQNS-UHFFFAOYSA-N
XLogP7.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.95
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56984935
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,4-bis(4-fluorophenyl)pyrazole-1-carboxamide
CID 57316781
3-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-methoxyphenyl)pyrazole-1-carboxamide
CID 56982754
3-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57319763
N-[4-(4-chlorophenoxy)phenyl]-3-(4-fluorophenyl)-4-phenylpyrazole-1-carboxamide
CID 57211760
5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277348
3-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57065633
3-(4-chlorophenyl)-N-(2,2-dimethyl-7-propan-2-yl-1,3-benzodioxol-5-yl)-4-phenylpyrazole-1-carboxamide
CID 57190334
3-(4-chlorophenyl)-N-[4-(3-fluorophenoxy)phenyl]-4-phenylpyrazole-1-carboxamide
CID 57111578
4-(3-fluorophenyl)-3-(4-methylphenyl)-N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56990733
3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57265619
3-(4-chlorophenyl)-4-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-1-carboxamide
CID 57036576

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide (CID 57205191) is 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide is CC1(C)CCc2cc(NC(=O)n3cc(-c4ccc(F)cc4)c(-c4ccc(Cl)cc4)n3)ccc2O1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide?
The InChIKey is GLHTWSKIOFWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN3O2/c1-27(2)14-13-19-15-22(11-12-24(19)34-27)30-26(33)32-16-23(17-5-9-21(29)10-6-17)25(31-32)18-3-7-20(28)8-4-18/h3-12,15-16H,13-14H2,1-2H3,(H,30,33).
What are the key properties of 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide?
3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide has a molecular weight of 475.95 g/mol, XLogP of 7.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-(4-fluorophenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 57205191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).